Publication record

Publications

Ivan Infante's publication record, generated from a Scopus BibTeX export dated 9 July 2026. Records are grouped by year and sorted newest first.

163

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4

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InfanteLab

BCMaterials, Basque Center for Materials, Applications and Nanostructures

2026

5 publications
Article

Synergistic Compatibilization of CsPbBr3 Perovskites and HfO2 Nanocrystals for Hybrid Sensitized Nanoscintillators

Bruni, Francesco,Chakraborty, Saptarshi,Fratelli, Andrea,El Adel, Abdessamad,Llusar, Jordi,Carulli, Francesco,Zaffalon, Matteo L.,Wang, Chenger,Zabloudil, Vojtech,Auffray, Etiennette,Meinardi, Francesco,Poletti, Leonardo,Lazzarini, Laura,Manno, Daniela,Galli, Anna,Rossi, Francesca,Infante, Ivan,Brovelli, Sergio

Advanced Functional Materials 36(23)

DOI Scopus
Article

Halide-Exchange Arrest Enables Reabsorption-Free CsPbCl3/CsPbI3 Perovskite Core/Shell Nanocrystals

Karakkal, Hiba H.,Chakraborty, Saptarshi,Zaffalon, Matteo L.,Llusar, Jordi,Gul, Shehla,Fratelli, Andrea,Poletti, Leonardo,Lazzarini, Laura,Manno, Daniela Erminia,Meinardi, Francesco,Carulli, Francesco,Rossi, Francesca,Infante, Ivan,Brovelli, Sergio

Advanced Science 13(12)

DOI Scopus
Article

Unravelling Mixed Organic-Halide Perovskite Degradation Under Extrinsic Factors

Salado, Manuel,Tropin, Timur V.,Adel, Abdessamad El,Fruhner, Lisa Sarah,Sánchez-Bodón, Julia,Vilas-Vilela, Jose L.,Le Brun, Anton P.,Saerbeck, Thomas,Infante, Ivan,Petrenko, Viktor,Porro, Jose M.

Small 22(6)

DOI Scopus
Article

Halide Perovskite–Chalcohalide Nanocrystal Heterostructures as a Platform for the Synthesis and Investigation of the CsPbCl3–CsPbI3 Epitaxial Interface

Livakas, Nikolaos,Skvortsova, Irina,Zito, Juliette,Ivanov, Yurii P.,Asaithambi, Aswin,Toma, Andrea,De Backer, Annick,Imran, Muhammad,Van Aert, Sandra,Divitini, Giorgio,Infante, Ivan,Bals, Sara,Manna, Liberato

Advanced Materials 38(6)

DOI Scopus
Letter Highlighted

Interfacial Reconstructions and Engineering in III–V@II–VI Core–Shell Quantum Dots

Llusar, Jordi,El Adel, Abdessamad,De Trizio, Luca,Manna, Liberato,Hens, Zeger,Infante, Ivan

ACS Energy Letters 11(5), 3945-3952

DOI Scopus

2025

13 publications
Article

Surface Modified CsPbBr3 Nanocrystals Enable Free Radical Thermal Polymerization of Efficient Ultrafast Polystyrenic Nanocomposite Scintillators

Carulli, Francesco,Erroi, Andrea,Bruni, Francesco,Zaffalon, Matteo L.,Liu, Mingming,Pascazio, Roberta,El Adel, Abdessamad,Catalano, Federico,Cemmi, Alessia,Di Sarcina, Ilaria,Rossi, Francesca,Lazzarini, Laura,Manno, Daniela E.,Infante, Ivan,Li, Liang,Brovelli, Sergio

ACS Energy Letters 10(1), 12-21

DOI Scopus
Article

Direct Observation of the Exciton-Polaron in Single CsPbBr3Quantum Dots

Shen, Zhou,Samoli, Margarita,Erdem, Onur,Bielecki, Johan,Samanta, Amit K.,E, Juncheng,Estillore, Armando D.,Kim, Chan,Kim, Yoonhee,Koliyadu, Jayanath,Letrun, Romain,Locardi, Federico,Lübke, Jannik,Mall, Abhishek,Melo, Diogo V. M.,Mills, Grant,Rafie-Zinedine, Safi,Round, Adam,Sato, Tokushi,de Wijn, Raphael,Wollweber, Tamme,Worbs, Lena,Zhuang, Yulong,Mancuso, Adrian P.,Bean, Richard,Chapman, Henry N.,Küpper, Jochen,Infante, Ivan,Lange, Holger,Hens, Zeger,Ayyer, Kartik

ACS Nano 19(31), 28372-28382

DOI Scopus
Article

Charge Transfer from Perovskite Quantum Dots to Multifunctional Ligands with Tethered Molecular Species

Kurashvili, Mariam,Stickel, Lena S.,Llusar, Jordi,Wilhelm, Christian,Felixberger, Fabian,Ivanović-Burmazović, Ivana,Infante, Ivan,Feldmann, Jochen,Akkerman, Quinten A.

ACS Energy Letters 10(6), 2811-2820

DOI Scopus
Article

Overcoming the Luminescence Efficiency Limitations of InP Magic-Sized Clusters

Joo, Changhyun,Yeon, Seongbeom,Llusar, Jordi,Gul, Shehla,Park, Chanho,Lee, Junhui,Ha, Jaeyeong,Jang, Jaedong,Kwak, In Hye,Yun, Hyung Joong,Kim, Sang Kyu,Cho, Yong-Hoon,Infante, Ivan,Cho, Himchan

Journal of the American Chemical Society 147(52), 48046-48059

DOI Scopus
Article Highlighted

Fuzzy Band Structure of Quantum Dots by Bloch Orbital Expansion: Unconventional Insights into Geometric-Electronic Structure Relations

Hens, Zeger,Llusar, Jordi,Infante, Ivan

ACS Nano 19(8), 8227-8237

DOI Scopus
Article

Metal-free heteroatom doping of carbon nitride for enhanced photocatalytic hydrogen peroxide production

Sebastian-Garate, Eneko,Gonçalves, Bruna F.,Llusar, Jordi,Gluchowski, Pawel,Infante, Ivan,Lanceros-Mendez, Senentxu,Zhang, Qi,Salazar, Hugo

Nano Energy 146

DOI Scopus
Article

Olefin Ligand Metathesis for Colloidal Emissive Nanocrystals with Enhanced Stability and Photosensitivity

Yeon, Seongbeom,Kim, Yoseph,Adel, Abdessamad El,Ha, Jaeyeong,Maeng, Seongkyu,Kim, Youngjo,Infante, Ivan,Cho, Himchan

Angewandte Chemie - International Edition 64(42)

DOI Scopus
Article

Efficient Energy Transfer from Quantum Dots to Closely-Bound Dye Molecules without Spectral Overlap

Kurashvili, Mariam,Llusar, Jordi,Stickel, Lena S.,Würthner, Tim,Ederle, David,Infante, Ivan,Feldmann, Jochen,Akkerman, Quinten A.

Angewandte Chemie - International Edition 64(9)

DOI Scopus
Erratum

Correction to "Exogenous Metal Cations in the Synthesis of CsPbBr3Nanocrystals and Their Interplay with Tertiary Amines"

Li, Zhanzhao,Goldoni, Luca,Wu, Ye,Imran, Muhammad,Ivanov, Yurii P.,Divitini, Giorgio,Zito, Juliette,Panneerselvam, Iyyappa Rajan,Baranov, Dmitry,Infante, Ivan,De Trizio, Luca,Manna, Liberato

Journal of the American Chemical Society 147(38), 35182

DOI Scopus
Article

Unveiling the Role of ZnCl2 in Enhancing the Photoluminescence Efficiency of Amino-As-Based InAs@ZnSe Quantum Dots

Zhu, Dongxu,Llusar, Jordi,Asaithambi, Aswin,Liu, Zheming,Bes, René,Prieur, Damien,Karakkal, Hiba H.,Prato, Mirko,Brovelli, Sergio,Saleh, Gabriele,Panda, Satyaprakash,Infante, Ivan,De Trizio, Luca,Manna, Liberato

ACS Nano 19(39), 34807-34818

DOI Scopus
Article

Colloidal quantum dots for optoelectronics

Houtepen, A.J.,Sargent, E.H.,Infante, I.,Owen, J.S.,Green, P.B.,Schaller, R.D.,Bals, S.,Zeiske, Stefan,Stöferle, T.,Hens, Z.

Nature Reviews Methods Primers 5(1)

DOI Scopus
Article

Improving the Stability of Colloidal CsPbBr3 Nanocrystals with an Alkylphosphonium Bromide as Surface Ligand Pair

Pegu, Meenakshi,Roshan, Hossein,Otero-Martínez, Clara,Goldoni, Luca,Zito, Juliette,Livakas, Nikolaos,Rusch, Pascal,De Boni, Francesco,Di Stasio, Francesco,Infante, Ivan,De Trizio, Luca,Manna, Liberato

ACS Energy Letters 10(5), 2268-2276

DOI Scopus
Review

Prospects of Nanoscience with Nanocrystals: 2025 Edition

Ibáñez, Maria,Boehme, Simon C.,Buonsanti, Raffaella,De Roo, Jonathan,Milliron, Delia J.,Ithurria, Sandrine,Rogach, Andrey L.,Cabot, Andreu,Yarema, Maksym,Cossairt, Brandi M.,Reiss, Peter,Talapin, Dmitri V.,Protesescu, Loredana,Hens, Zeger,Infante, Ivan,Bodnarchuk, Maryna I.,Ye, Xingchen,Wang, Yuanyuan,Zhang, Hao,Lhuillier, Emmanuel,Klimov, Victor I.,Utzat, Hendrik,Rainò, Gabriele,Kagan, Cherie R.,Cargnello, Matteo,Son, Jae Sung,Kovalenko, Maksym V.

ACS Nano 19(36), 31969-32051

DOI Scopus

2024

8 publications
Article Highlighted

Surface Reconstructions in II-VI Quantum Dots

Llusar, Jordi,du Fossé, Indy,Hens, Zeger,Houtepen, Arjan,Infante, Ivan

ACS Nano 18(2), 1563-1572

DOI Scopus
Article

Nanocrystal Heterostructures Based on Halide Perovskites and Metal Sulfides

Livakas, Nikolaos,Zito, Juliette,Ivanov, Yurii P.,Otero-Martínez, Clara,Divitini, Giorgio,Infante, Ivan,Manna, Liberato

Journal of the American Chemical Society 146(40), 27571-27582

DOI Scopus
Article

Perovskite Nanocrystals Initiate One-Step Oxygen Tolerant PET-RAFT Polymerization of Highly Loaded, Efficient Plastic Nanocomposites

Bellotti, Valentina,Carulli, Francesco,Mecca, Sara,Zaffalon, Matteo L.,Erroi, Andrea,Catalano, Federico,Boventi, Matteo,Infante, Ivan,Rossi, Francesca,Beverina, Luca,Brovelli, Sergio,Simonutti, Roberto

Advanced Functional Materials 34(52)

DOI Scopus
Article

Ultrafast Nanocomposite Scintillators Based on Cd-Enhanced CsPbCl3 Nanocrystals in Polymer Matrix

Erroi, Andrea,Carulli, Francesco,Cova, Francesca,Frank, Isabel,Zaffalon, Matteo L.,Llusar, Jordi,Mecca, Sara,Cemmi, Alessia,Di Sarcina, Ilaria,Rossi, Francesca,Beverina, Luca,Meinardi, Francesco,Infante, Ivan,Auffray, Etiennette,Brovelli, Sergio

ACS Energy Letters 9(5), 2333-2342

DOI Scopus
Article

Atomically precise surface chemistry of zirconium and hafnium metal oxo clusters beyond carboxylate ligands

Unniram Parambil, Ajmal Roshan,Pokratath, Rohan,Parammal, Muhammed Jibin,Dhaene, Evert,Van den Eynden, Dietger,Balog, Sandor,Prescimone, Alessandro,Infante, Ivan,Shahgaldian, Patrick,De Roo, Jonathan

Chemical Science 15(42), 17380-17396

DOI Scopus
Review

Lead-Free Halide Perovskite Materials and Optoelectronic Devices: Progress and Prospective

López-Fernández, Iago,Valli, Donato,Wang, Chun-Yun,Samanta, Subarna,Okamoto, Takuya,Huang, Yi-Teng,Sun, Kun,Liu, Yang,Chirvony, Vladimir S.,Patra, Avijit,Zito, Juliette,De Trizio, Luca,Gaur, Deepika,Sun, Hong-Tao,Xia, Zhiguo,Li, Xiaoming,Zeng, Haibo,Mora-Seró, Iván,Pradhan, Narayan,Martínez-Pastor, Juan P.,Müller-Buschbaum, Peter,Biju, Vasudevanpillai,Debnath, Tushar,Saliba, Michael,Debroye, Elke,Hoye, Robert L. Z.,Infante, Ivan,Manna, Liberato,Polavarapu, Lakshminarayana

Advanced Functional Materials 34(6)

DOI Scopus
Article

Exogenous Metal Cations in the Synthesis of CsPbBr3 Nanocrystals and Their Interplay with Tertiary Amines

Li, Zhanzhao,Goldoni, Luca,Wu, Ye,Imran, Muhammad,Ivanov, Yurii P.,Divitini, Giorgio,Zito, Juliette,Panneerselvam, Iyyappa Rajan,Baranov, Dmitry,Infante, Ivan,De Trizio, Luca,Manna, Liberato

Journal of the American Chemical Society 146(30), 20636-20648

DOI Scopus
Article

Amino-Arsine and Amino-Phosphine Based Synthesis of InAs@InP@ZnSe core@shell@shell Quantum Dots

Liu, Zheming,Llusar, Jordi,Karakkal, Hiba H.,Zhu, Dongxu,Ivanov, Yurii P.,Prato, Mirko,Divitini, Giorgio,Brovelli, Sergio,Infante, Ivan,De Trizio, Luca,Manna, Liberato

Advanced Energy Materials 14(47)

DOI Scopus

2023

12 publications
Article

Boosting the Photoluminescence Efficiency of InAs Nanocrystals Synthesized with Aminoarsine via a ZnSe Thick-Shell Overgrowth

Zhu, Dongxu,Bahmani Jalali, Houman,Saleh, Gabriele,Di Stasio, Francesco,Prato, Mirko,Polykarpou, Nefeli,Othonos, Andreas,Christodoulou, Sotirios,Ivanov, Yurii P.,Divitini, Giorgio,Infante, Ivan,De Trizio, Luca,Manna, Liberato

Advanced Materials 35(38)

DOI Scopus
Article

Mixed Valence of Bismuth in Hexagonal Chalcohalide Nanocrystals

Quarta, Danila,Toso, Stefano,Saleh, Gabriele,Caliandro, Rocco,Moliterni, Anna,Griesi, Andrea,Divitini, Giorgio,Infante, Ivan,Gigli, Giuseppe,Giannini, Cinzia,Manna, Liberato,Giansante, Carlo

Chemistry of Materials 35(3), 1029-1036

DOI Scopus
Article

Direct Band Gap Chalcohalide Semiconductors: Quaternary AgBiSCl2 Nanocrystals

Quarta, Danila,Toso, Stefano,Fieramosca, Antonio,Dominici, Lorenzo,Caliandro, Rocco,Moliterni, Anna,Tobaldi, David Maria,Saleh, Gabriele,Gushchina, Irina,Brescia, Rosaria,Prato, Mirko,Infante, Ivan,Cola, Adriano,Giannini, Cinzia,Manna, Liberato,Gigli, Giuseppe,Giansante, Carlo

Chemistry of Materials 35(23), 9900-9906

DOI Scopus
Review

Light Emission from Low-Dimensional Pb-Free Perovskite-Related Metal Halide Nanocrystals

Ray, Aniruddha,De Trizio, Luca,Zito, Juliette,Infante, Ivan,Manna, Liberato,Abdelhady, Ahmed L.

Advanced Optical Materials 11(4)

DOI Scopus
Article

Localizing Oleylamine Ligands on Amine-Halide Copassivated Indium Phosphide Nanocrystals

Dümbgen, Kim Corinna,Infante, Ivan,Hens, Zeger

Chemistry of Materials 35(11), 4393-4403

DOI Scopus
Article

High-performance alkaline water electrolyzers based on Ru-perturbed Cu nanoplatelets cathode

Zuo, Yong,Bellani, Sebastiano,Ferri, Michele,Saleh, Gabriele,Shinde, Dipak V.,Zappia, Marilena Isabella,Brescia, Rosaria,Prato, Mirko,De Trizio, Luca,Infante, Ivan,Bonaccorso, Francesco,Manna, Liberato

Nature Communications 14(1)

DOI Scopus
Article

Colloidal InAs Tetrapods: Impact of Surfactants on the Shape Control

Liu, Zheming,Pascazio, Roberta,Goldoni, Luca,Maggioni, Daniela,Zhu, Dongxu,Ivanov, Yurii P.,Divitini, Giorgio,Camarelles, Jordi Llusar,Jalali, Houman Bahmani,Infante, Ivan,De Trizio, Luca,Manna, Liberato

Journal of the American Chemical Society 145(33), 18329-18339

DOI Scopus
Article Highlighted

Surface Chemistry of Lead Halide Perovskite Colloidal Nanocrystals

De Trizio, Luca,Infante, Ivan,Manna, Liberato

Accounts of Chemical Research 56(13), 1815-1825

DOI Scopus
Article

Classical Force Field Parameters for InP and InAs Quantum Dots with Various Surface Passivations

Dümbgen, Kim Corinna,Pascazio, Roberta,van Beek, Bas,Hens, Zeger,Infante, Ivan

Journal of Physical Chemistry A 127(15), 3427-3436

DOI Scopus
Article

Ligand dynamics on the surface of CdSe nanocrystals

Cosseddu, Salvatore,Pascazio, Roberta,Giansante, Carlo,Manna, Liberato,Infante, Ivan

Nanoscale 15(16), 7410-7419

DOI Scopus
Article

Guilty as Charged: The Role of Undercoordinated Indium in Electron-Charged Indium Phosphide Quantum Dots

Stam, Maarten,du Fossé, Indy,Infante, Ivan,Houtepen, Arjan J.

ACS Nano 17(18), 18576-18583

DOI Scopus
Article

Ru-Cu Nanoheterostructures for Efficient Hydrogen Evolution Reaction in Alkaline Water Electrolyzers

Zuo, Yong,Bellani, Sebastiano,Saleh, Gabriele,Ferri, Michele,Shinde, Dipak V.,Zappia, Marilena Isabella,Buha, Joka,Brescia, Rosaria,Prato, Mirko,Pascazio, Roberta,Annamalai, Abinaya,de Souza, Danilo Oliveira,De Trizio, Luca,Infante, Ivan,Bonaccorso, Francesco,Manna, Liberato

Journal of the American Chemical Society 145(39), 21419-21431

DOI Scopus

2022

12 publications
Article

Colloidal Bismuth Chalcohalide Nanocrystals

Quarta, Danila,Toso, Stefano,Giannuzzi, Roberto,Caliandro, Rocco,Moliterni, Anna,Saleh, Gabriele,Capodilupo, Agostina-Lina,Debellis, Doriana,Prato, Mirko,Nobile, Concetta,Maiorano, Vincenzo,Infante, Ivan,Gigli, Giuseppe,Giannini, Cinzia,Manna, Liberato,Giansante, Carlo

Angewandte Chemie - International Edition 61(22)

DOI Scopus
Article

Classical Force-Field Parameters for CsPbBr3Perovskite Nanocrystals

Pascazio, Roberta,Zaccaria, Francesco,Van Beek, Bas,Infante, Ivan

Journal of Physical Chemistry C 126(23), 9898-9908

DOI Scopus
Article

Cesium Manganese Bromide Nanocrystal Sensitizers for Broadband Vis-to-NIR Downshifting

Jalali, Houman Bahmani,Pianetti, Andrea,Zito, Juliette,Imran, Muhammad,Campolucci, Marta,Ivanov, Yurii P.,Locardi, Federico,Infante, Ivan,Divitini, Giorgio,Brovelli, Sergio,Manna, Liberato,Di Stasio, Francesco

ACS Energy Letters 7(5), 1850-1858

DOI Scopus
Article

Alloying Bi-Doped Cs2Ag1- xNaxInCl6Nanocrystals with K+Cations Modulates Surface Ligands Density and Photoluminescence Efficiency

Liu, Zheming,Zito, Juliette,Ghini, Michele,Goldoni, Luca,Prato, Mirko,Bahmani Jalali, Houman,Infante, Ivan,De Trizio, Luca,Manna, Liberato

Nano Letters 22(21), 8567-8573

DOI Scopus
Article

Limits of Defect Tolerance in Perovskite Nanocrystals: Effect of Local Electrostatic Potential on Trap States

Fossé, Indy du,Mulder, Jence T.,Almeida, Guilherme,Spruit, Anne G. M.,Infante, Ivan,Grozema, Ferdinand C.,Houtepen, Arjan J.

Journal of the American Chemical Society 144(25), 11059-11063

DOI Scopus
Article

Halide perovskites as disposable epitaxial templates for the phase-selective synthesis of lead sulfochloride nanocrystals

Toso, Stefano,Imran, Muhammad,Mugnaioli, Enrico,Moliterni, Anna,Caliandro, Rocco,Schrenker, Nadine J.,Pianetti, Andrea,Zito, Juliette,Zaccaria, Francesco,Wu, Ye,Gemmi, Mauro,Giannini, Cinzia,Brovelli, Sergio,Infante, Ivan,Bals, Sara,Manna, Liberato

Nature Communications 13(1)

DOI Scopus
Article

Cu+→ Mn2+Energy Transfer in Cu, Mn Coalloyed Cs3ZnCl5Colloidal Nanocrystals

Liu, Ying,Zaffalon, Matteo L.,Zito, Juliette,Cova, Francesca,Moro, Fabrizio,Fanciulli, Marco,Zhu, Dongxu,Toso, Stefano,Xia, Zhiguo,Infante, Ivan,De Trizio, Luca,Brovelli, Sergio,Manna, Liberato

Chemistry of Materials 34(19), 8603-8612

DOI Scopus
Article

Ultra-narrow room-temperature emission from single CsPbBr3 perovskite quantum dots

Rainò, Gabriele,Yazdani, Nuri,Boehme, Simon C.,Kober-Czerny, Manuel,Zhu, Chenglian,Krieg, Franziska,Rossell, Marta D.,Erni, Rolf,Wood, Vanessa,Infante, Ivan,Kovalenko, Maksym V.

Nature Communications 13(1)

DOI Scopus
Erratum

Correction: Colloidal Bi-Doped Cs2Ag1- xNaxInCl6Nanocrystals: Undercoordinated Surface Cl Ions Limit Their Light Emission Efficiency (ACS Mater. Lett. (2020) 2 : 11 (1442−1449) DOI: 10.1021/acsmaterialslett.0c00359)

Zhang, Baowei,Wang, Mengjiao,Ghini, Michele,Melcherts, Angela E. M.,Zito, Juliette,Goldoni, Luca,Infante, Ivan,Guizzardi, Michele,Scotognella, Francesco,Kriegel, Ilka,De Trizio, Luca,Manna, Liberato

ACS Materials Letters 4(9), 1756-1763

DOI Scopus
Article

The Reactivity of CsPbBr3Nanocrystals toward Acid/Base Ligands

Zaccaria, Francesco,Zhang, Baowei,Goldoni, Luca,Imran, Muhammad,Zito, Juliette,Van Beek, Bas,Lauciello, Simone,De Trizio, Luca,Manna, Liberato,Infante, Ivan

ACS Nano 16(1), 1444-1455

DOI Scopus
Article

CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds

Van Beek, Bas,Zito, Juliette,Visscher, Lucas,Infante, Ivan

Journal of Chemical Information and Modeling 62(22), 5525-5535

DOI Scopus
Article

ZnCl2Mediated Synthesis of InAs Nanocrystals with Aminoarsine

Zhu, Dongxu,Bellato, Fulvio,Bahmani Jalali, Houman,Di Stasio, Francesco,Prato, Mirko,Ivanov, Yurii P.,Divitini, Giorgio,Infante, Ivan,De Trizio, Luca,Manna, Liberato

Journal of the American Chemical Society 144(23), 10515-10523

DOI Scopus

2021

13 publications
Article

Isolated [SbCl6]3-Octahedra Are the only Active Emitters in Rb7Sb3Cl16Nanocrystals

Zhang, Baowei,Pinchetti, Valerio,Zito, Juliette,Ray, Aniruddha,Melcherts, Angela E. M.,Ghini, Michele,Pianetti, Andrea,Infante, Ivan,Brovelli, Sergio,De Trizio, Luca,Manna, Liberato

ACS Energy Letters 6(11), 3952-3959

DOI Scopus
Article

The Future of Ligand Engineering in Colloidal Semiconductor Nanocrystals

Zito, Juliette,Infante, Ivan

Accounts of Chemical Research 54(7), 1555-1564

DOI Scopus
Review

Are There Good Alternatives to Lead Halide Perovskite Nanocrystals?

Infante, Ivan,Manna, Liberato

Nano Letters 21(1), 6-9

DOI Scopus
Article

Fast Intrinsic Emission Quenching in Cs4PbBr6Nanocrystals

Petralanda, Urko,Biffi, Giulia,Boehme, Simon C.,Baranov, Dmitry,Krahne, Roman,Manna, Liberato,Infante, Ivan

Nano Letters 21(20), 8619-8626

DOI Scopus
Review

Guidelines for the characterization of metal halide nanocrystals

De Trizio, Luca,Infante, Ivan,Abdelhady, Ahmed L.,Brovelli, Sergio,Manna, Liberato

Trends in Chemistry 3(8), 631-644

DOI Scopus
Article

Ligand Adsorption Energy and the Postpurification Surface Chemistry of Colloidal Metal Chalcogenide Nanocrystals

Singh, Shalini,Leemans, Jari,Zaccaria, Francesco,Infante, Ivan,Hens, Zeger

Chemistry of Materials 33(8), 2796-2803

DOI Scopus
Article

Shape, Electronic Structure, and Trap States in Indium Phosphide Quantum Dots

Dümbgen, Kim Corinna,Zito, Juliette,Infante, Ivan,Hens, Zeger

Chemistry of Materials 33(17), 6885-6896

DOI Scopus
Article

Effect of ligands and solvents on the stability of electron charged CdSe colloidal quantum dots

du Fossé, Indy,Lal, Snigdha,Hossaini, Aydin Najl,Infante, Ivan,Houtepen, Arjan J.

Journal of Physical Chemistry C 125(43), 23968-23975

DOI Scopus
Article

Dynamic Formation of Metal-Based Traps in Photoexcited Colloidal Quantum Dots and Their Relevance for Photoluminescence

Du Fossé, Indy,Boehme, Simon C.,Infante, Ivan,Houtepen, Arjan J.

Chemistry of Materials 33(9), 3349-3358

DOI Scopus
Article

Sb-Doped Metal Halide Nanocrystals: A 0D versus 3D Comparison

Zhu, Dongxu,Zaffalon, Matteo L.,Zito, Juliette,Cova, Francesca,Meinardi, Francesco,De Trizio, Luca,Infante, Ivan,Brovelli, Sergio,Manna, Liberato

ACS Energy Letters 6(6), 2283-2292

DOI Scopus
Article

Acid-Base Mediated Ligand Exchange on Near-Infrared Absorbing, Indium-Based III-V Colloidal Quantum Dots

Leemans, Jari,Dümbgen, Kim C.,Minjauw, Matthias M.,Zhao, Qiang,Vantomme, André,Infante, Ivan,Detavernier, Christophe,Hens, Zeger

Journal of the American Chemical Society 143(11), 4290-4301

DOI Scopus
Review

An overview of computational studies on colloidal semiconductor nanocrystals

Pascazio, Roberta,Zito, Juliette,Infante, Ivan

Chimia 75(5), 427-434

DOI Scopus
Article

Halide Perovskite-Lead Chalcohalide Nanocrystal Heterostructures

Imran, Muhammad,Peng, Lucheng,Pianetti, Andrea,Pinchetti, Valerio,Ramade, Julien,Zito, Juliette,Di Stasio, Francesco,Buha, Joka,Toso, Stefano,Song, Jun,Infante, Ivan,Bals, Sara,Brovelli, Sergio,Manna, Liberato

Journal of the American Chemical Society 143(3), 1435-1446

DOI Scopus

2020

10 publications
Article

Bright Blue Emitting Cu-Doped Cs2ZnCl4Colloidal Nanocrystals

Zhu, Dongxu,Zaffalon, Matteo L.,Pinchetti, Valerio,Brescia, Rosaria,Moro, Fabrizio,Fasoli, Mauro,Fanciulli, Marco,Tang, Aiwei,Infante, Ivan,De Trizio, Luca,Brovelli, Sergio,Manna, Liberato

Chemistry of Materials 32(13), 5897-5903

DOI Scopus
Article

Cs3Cu4In2Cl13 Nanocrystals: A Perovskite-Related Structure with Inorganic Clusters at A Sites

Kaiukov, Roman,Almeida, Guilherme,Marras, Sergio,Dang, Zhiya,Baranov, Dmitry,Petralanda, Urko,Infante, Ivan,Mugnaioli, Enrico,Griesi, Andrea,De Trizio, Luca,Gemmi, Mauro,Manna, Liberato

Inorganic Chemistry 59(1), 548-554

DOI Scopus
Article

Compositional Tuning of Carrier Dynamics in Cs2Na1- xAgxBiCl6Double-Perovskite Nanocrystals

Zhu, Dongxu,Zito, Juliette,Pinchetti, Valerio,Dang, Zhiya,Olivati, Andrea,Pasquale, Lea,Tang, Aiwei,Zaffalon, Matteo L.,Meinardi, Francesco,Infante, Ivan,De Trizio, Luca,Manna, Liberato,Brovelli, Sergio

ACS Energy Letters 5(6), 1840-1847

DOI Scopus
Article

Near-Edge Ligand Stripping and Robust Radiative Exciton Recombination in CdSe/CdS Core/Crown Nanoplatelets

Leemans, Jari,Singh, Shalini,Li, Chen,Ten Brinck, Stephanie,Bals, Sara,Infante, Ivan,Moreels, Iwan,Hens, Zeger

Journal of Physical Chemistry Letters 11(9), 3339-3344

DOI Scopus
Article

Colloidal Bi-Doped Cs2Ag1- xNaxInCl6Nanocrystals: Undercoordinated Surface Cl Ions Limit their Light Emission Efficiency

Zhang, Baowei,Wang, Mengjiao,Ghini, Michele,Melcherts, Angela E. M.,Zito, Juliette,Goldoni, Luca,Infante, Ivan,Guizzardi, Michele,Scotognella, Francesco,Kriegel, Ilka,De Trizio, Luca,Manna, Liberato

ACS Materials Letters 2(11), 1442-1449

DOI Scopus
Article

Phonon-Mediated and Weakly Size-Dependent Electron and Hole Cooling in CsPbBr3 Nanocrystals Revealed by Atomistic Simulations and Ultrafast Spectroscopy

Boehme, Simon C.,Brinck, Stephanie Ten,Maes, Jorick,Yazdani, Nuri,Zapata, Felipe,Chen, Kai,Wood, Vanessa,Hodgkiss, Justin M.,Hens, Zeger,Geiregat, Pieter,Infante, Ivan

Nano Letters 20(3), 1819-1829

DOI Scopus
Article

Directional Anisotropy of the Vibrational Modes in 2D-Layered Perovskites

Dhanabalan, Balaji,Leng, Yu-Chen,Biffi, Giulia,Lin, Miao-Ling,Tan, Ping-Heng,Infante, Ivan,Manna, Liberato,Arciniegas, Milena P.,Krahne, Roman

ACS nano 14(4), 4689-4697

DOI Scopus
Article

Electronic Structure Engineering Achieved via Organic Ligands in Silicon Nanocrystals

Dohnalová, Kateřina,Hapala, Prokop,Kůsová, Kateřina,Infante, Ivan

Chemistry of Materials 32(15), 6326-6337

DOI Scopus
Article

Nanocrystals of Lead Chalcohalides: A Series of Kinetically Trapped Metastable Nanostructures

Toso, Stefano,Akkerman, Quinten A.,Martín-García, Beatriz,Prato, Mirko,Zito, Juliette,Infante, Ivan,Dang, Zhiya,Moliterni, Anna,Giannini, Cinzia,Bladt, Eva,Lobato, Ivan,Ramade, Julien,Bals, Sara,Buha, Joka,Spirito, Davide,Mugnaioli, Enrico,Gemmi, Mauro,Manna, Liberato

Journal of the American Chemical Society 142(22), 10198-10211

DOI Scopus
Article

Alloy CsCd xPb1- xBr3Perovskite Nanocrystals: The Role of Surface Passivation in Preserving Composition and Blue Emission

Imran, Muhammad,Ramade, Julien,Di Stasio, Francesco,De Franco, Manuela,Buha, Joka,Van Aert, Sandra,Goldoni, Luca,Lauciello, Simone,Prato, Mirko,Infante, Ivan,Bals, Sara,Manna, Liberato

Chemistry of Materials 32(24), 10641-10652

DOI Scopus

2019

15 publications
Article

Alkyl phosphonic acids deliver CsPbBr3 Nanocrystals with high photoluminescence quantum yield and truncated octahedron shape

Zhang, Baowei,Goldoni, Luca,Zito, Juliette,Dang, Zhiya,Almeida, Guilherme,Zaccaria, Francesco,De Wit, Jur,Infante, Ivan,De Trizio, Luca,Manna, Liberato

Chemistry of Materials 31(21), 9140-9147

DOI Scopus
Article

Role of Surface Reduction in the Formation of Traps in n-Doped II-VI Semiconductor Nanocrystals: How to Charge without Reducing the Surface

Du Fossé, Indy,Ten Brinck, Stephanie,Infante, Ivan,Houtepen, Arjan J.

Chemistry of Materials 31(12), 4575-4583

DOI Scopus
Article

Fully Inorganic Ruddlesden-Popper Double Cl-I and Triple Cl-Br-I Lead Halide Perovskite Nanocrystals

Akkerman, Quinten A.,Bladt, Eva,Petralanda, Urko,Dang, Zhiya,Sartori, Emanuela,Baranov, Dmitry,Abdelhady, Ahmed L.,Infante, Ivan,Bals, Sara,Manna, Liberato

Chemistry of Materials 31(6), 2182-2190

DOI Scopus
Article

Emissive Bi-Doped Double Perovskite Cs2Ag1- xNaxInCl6 Nanocrystals

Locardi, Federico,Sartori, Emanuela,Buha, Joka,Zito, Juliette,Prato, Mirko,Pinchetti, Valerio,Zaffalon, Matteo L.,Ferretti, Maurizio,Brovelli, Sergio,Infante, Ivan,De Trizio, Luca,Manna, Liberato

ACS Energy Letters 4(8), 1976-1982

DOI Scopus
Review

Resurfacing halide perovskite nanocrystals Optoelectronic devices require tailored ligands that stabilize nanocrystals and promote charge transport

Almeida, Guilherme,Infante, Ivan,Manna, Liberato

Science 364(6443), 833-834

DOI Scopus
Article

Ruthenium-Decorated Cobalt Selenide Nanocrystals for Hydrogen Evolution

Wang, Mengjiao,Dang, Zhiya,Prato, Mirko,Petralanda, Urko,Infante, Ivan,Shinde, Dipak V.,De Trizio, Luca,Manna, Liberato

ACS Applied Nano Materials 2(9), 5695-5703

DOI Scopus
Article

Po-Containing Molecules in Fusion and Fission Reactors

Mertens, Merlijn A. J.,Aerts, Alexander,Infante, Ivan,Neuhausen, Jörg,Cottenier, Stefaan

Journal of Physical Chemistry Letters 10(11), 2879-2884

DOI Scopus
Article

Rationalizing and Controlling the Surface Structure and Electronic Passivation of Cesium Lead Halide Nanocrystals

Bodnarchuk, Maryna I.,Boehme, Simon C.,Ten Brinck, Stephanie,Bernasconi, Caterina,Shynkarenko, Yevhen,Krieg, Franziska,Widmer, Roland,Aeschlimann, Beat,Günther, Detlef,Kovalenko, Maksym V.,Infante, Ivan

ACS Energy Letters 4(1), 63-74

DOI Scopus
Article

Spectrally Resolved Ultrafast Exciton Transfer in Mixed Perovskite Quantum Wells

Proppe, Andrew H.,Elkins, Madeline H.,Voznyy, Oleksandr,Pensack, Ryan D.,Zapata, Felipe,Besteiro, Lucas V.,Quan, Li Na,Quintero-Bermudez, Rafael,Todorovic, Petar,Kelley, Shana O.,Govorov, Alexander O.,Gray, Stephen K.,Infante, Ivan,Sargent, Edward H.,Scholes, Gregory D.

Journal of Physical Chemistry Letters 10(3), 419-426

DOI Scopus
Article

Ultrathin Orthorhombic PbS Nanosheets

Akkerman, Quinten A.,Martín-García, Beatriz,Buha, Joka,Almeida, Guilherme,Toso, Stefano,Marras, Sergio,Bonaccorso, Francesco,Petralanda, Urko,Infante, Ivan,Manna, Liberato

Chemistry of Materials 31(19), 8145-8153

DOI Scopus
Article

QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry

Zapata, Felipe,Ridder, Lars,Hidding, Johan,Jacob, Christoph R.,Infante, Ivan,Visscher, Lucas

Journal of Chemical Information and Modeling 59(7), 3191-3197

DOI Scopus
Article

Elucidating the Trends in Reactivity of Aza-1,3-Dipolar Cycloadditions

Hamlin, Trevor A.,Svatunek, Dennis,Yu, Song,Ridder, Lars,Infante, Ivan,Visscher, Lucas,Bickelhaupt, F. Matthias

European Journal of Organic Chemistry 2019(2), 378-386

DOI Scopus
Article

Defects in lead halide perovskite nanocrystals: Analogies and (many) differences with the bulk

Ten Brinck, Stephanie,Zaccaria, Francesco,Infante, Ivan

ACS Energy Letters 4(11), 2739-2747

DOI Scopus
Article

Stable Ligand Coordination at the Surface of Colloidal CsPbBr3 Nanocrystals

Quarta, Danila,Imran, Muhammad,Capodilupo, Agostina-Lina,Petralanda, Urko,Van Beek, Bas,De Angelis, Filippo,Manna, Liberato,Infante, Ivan,De Trizio, Luca,Giansante, Carlo

Journal of Physical Chemistry Letters 10(13), 3715-3726

DOI Scopus
Article

Simultaneous cationic and anionic ligand exchange for colloidally stable CsPbBr3 nanocrystals

Imran, Muhammad,Ijaz, Palvasha,Goldoni, Luca,Maggioni, Daniela,Petralanda, Urko,Prato, Mirko,Almeida, Guilherme,Infante, Ivan,Manna, Liberato

ACS Energy Letters 4(4), 819-824

DOI Scopus

2018

13 publications
Article

Colloidal CdSe Nanoplatelets, A Model for Surface Chemistry/Optoelectronic Property Relations in Semiconductor Nanocrystals

Singh, Shalini,Tomar, Renu,Ten Brinck, Stephanie,De Roo, Jonathan,Geiregat, Pieter,Martins, José C.,Infante, Ivan,Hens, Zeger

Journal of the American Chemical Society 140(41), 13292-13300

DOI Scopus
Article

Efficient Hot Electron Transfer in Quantum Dot-Sensitized Mesoporous Oxides at Room Temperature

Wang, Hai I.,Infante, Ivan,Brinck, Stephanie Ten,Cánovas, Enrique,Bonn, Mischa

Nano Letters 18(8), 5111-5115

DOI Scopus
Article

Ligand Displacement Exposes Binding Site Heterogeneity on CdSe Nanocrystal Surfaces

Drijvers, Emile,De Roo, Jonathan,Martins, José C.,Infante, Ivan,Hens, Zeger

Chemistry of Materials 30(3), 1178-1186

DOI Scopus
Article

Finding and Fixing Traps in II-VI and III-V Colloidal Quantum Dots: The Importance of Z-Type Ligand Passivation

Kirkwood, Nicholas,Monchen, Julius O. V.,Crisp, Ryan W.,Grimaldi, Gianluca,Bergstein, Huub A. C.,Du Fossé, Indy,Van Der Stam, Ward,Infante, Ivan,Houtepen, Arjan J.

Journal of the American Chemical Society 140(46), 15712-15723

DOI Scopus
Article

The Surface Chemistry of Colloidal HgSe Nanocrystals, toward Stoichiometric Quantum Dots by Design

Grigel, Valeriia,Sagar, Laxmi Kishore,De Nolf, Kim,Zhao, Qiang,Vantomme, André,De Roo, Jonathan,Infante, Ivan,Hens, Zeger

Chemistry of Materials 30(21), 7637-7647

DOI Scopus
Article

Tuning Electron-Phonon Interactions in Nanocrystals through Surface Termination

Yazdani, Nuri,Bozyigit, Deniz,Vuttivorakulchai, Kantawong,Luisier, Mathieu,Infante, Ivan,Wood, Vanessa

Nano Letters 18(4), 2233-2242

DOI Scopus
Article

The Phosphine Oxide Route toward Lead Halide Perovskite Nanocrystals

Almeida, Guilherme,Ashton, Olivia J.,Goldoni, Luca,Maggioni, Daniela,Petralanda, Urko,Mishra, Nimai,Akkerman, Quinten A.,Infante, Ivan,Snaith, Henry J.,Manna, Liberato

Journal of the American Chemical Society 140(44), 14878-14886

DOI Scopus
Article

Probing Solvent-Ligand Interactions in Colloidal Nanocrystals by the NMR Line Broadening

De Roo, Jonathan,Yazdani, Nuri,Drijvers, Emile,Lauria, Alessandro,Maes, Jorick,Owen, Jonathan S.,Van Driessche, Isabel,Niederberger, Markus,Wood, Vanessa,Martins, Jose C.,Infante, Ivan,Hens, Zeger

Chemistry of Materials 30(15), 5485-5492

DOI Scopus
Article

Colloidal CsPbX3 (X = Cl, Br, I) Nanocrystals 2.0: Zwitterionic Capping Ligands for Improved Durability and Stability

Krieg, Franziska,Ochsenbein, Stefan T.,Yakunin, Sergii,Ten Brinck, Stephanie,Aellen, Philipp,Süess, Adrian,Clerc, Baptiste,Guggisberg, Dominic,Nazarenko, Olga,Shynkarenko, Yevhen,Kumar, Sudhir,Shih, Chih-Jen,Infante, Ivan,Kovalenko, Maksym V.

ACS Energy Letters 3(3), 641-646

DOI Scopus
Article

Highly Emissive Self-Trapped Excitons in Fully Inorganic Zero-Dimensional Tin Halides

Benin, Bogdan M.,Dirin, Dmitry N.,Morad, Viktoriia,Wörle, Michael,Yakunin, Sergii,Rainò, Gabriele,Nazarenko, Olga,Fischer, Markus,Infante, Ivan,Kovalenko, Maksym V.

Angewandte Chemie - International Edition 57(35), 11329-11333

DOI Scopus
Article

Shape-Pure, Nearly Monodispersed CsPbBr 3 Nanocubes Prepared Using Secondary Aliphatic Amines

Imran, Muhammad,Ijaz, Palvasha,Baranov, Dmitry,Goldoni, Luca,Petralanda, Urko,Akkerman, Quinten,Abdelhady, Ahmed L.,Prato, Mirko,Bianchini, Paolo,Infante, Ivan,Manna, Liberato

Nano Letters 18(12), 7822-7831

DOI Scopus
Article

Hot-electron transfer in quantum-dot heterojunction films

Grimaldi, Gianluca,Crisp, Ryan W.,Ten Brinck, Stephanie,Zapata, Felipe,Van Ouwendorp, Michiko,Renaud, Nicolas,Kirkwood, Nicholas,Evers, Wiel H.,Kinge, Sachin,Infante, Ivan,Siebbeles, Laurens D.A.,Houtepen, Arjan J.

Nature Communications 9(1)

DOI Scopus
Article

Continuous-wave infrared optical gain and amplified spontaneous emission at ultralow threshold by colloidal HgTe quantum dots

Geiregat, Pieter,Houtepen, Arjan J.,Sagar, Laxmi Kishore,Infante, Ivan,Zapata, Felipe,Grigel, Valeriia,Allan, Guy,Delerue, Christophe,Van Thourhout, Dries,Hens, Zeger

Nature Materials 17(1), 35-41

DOI Scopus

2017

5 publications
Article

Force field parametrization of colloidal CdSe nanocrystals using an adaptive rate monte carlo optimization algorithm

Cosseddu, Salvatore,Infante, Ivan

Journal of Chemical Theory and Computation 13(1), 297-308

DOI Scopus
Article

Quantum-Confined and Enhanced Optical Absorption of Colloidal PbS Quantum Dots at Wavelengths with Expected Bulk Behavior

Debellis, Doriana,Gigli, Giuseppe,Ten Brinck, Stephanie,Infante, Ivan,Giansante, Carlo

Nano Letters 17(2), 1248-1254

DOI Scopus
Article

Surface Traps in Colloidal Quantum Dots: A Combined Experimental and Theoretical Perspective

Giansante, Carlo,Infante, Ivan

Journal of Physical Chemistry Letters 8(20), 5209-5215

DOI Scopus
Article

Binding and Packing in Two-Component Colloidal Quantum Dot Ligand Shells: Linear versus Branched Carboxylates

De Nolf, Kim,Cosseddu, Salvatore M.,Jasieniak, Jacek J.,Drijvers, Emile,Martins, José C.,Infante, Ivan,Hens, Zeger

Journal of the American Chemical Society 139(9), 3456-3464

DOI Scopus
Article

On the Origin of Surface Traps in Colloidal II-VI Semiconductor Nanocrystals

Houtepen, Arjan J.,Hens, Zeger,Owen, Jonathan S.,Infante, Ivan

Chemistry of Materials 29(2), 752-761

DOI Scopus

2016

2 publications
Article

Surface Termination, Morphology, and Bright Photoluminescence of Cesium Lead Halide Perovskite Nanocrystals

Ten Brinck, Stephanie,Infante, Ivan

ACS Energy Letters 1(6), 1266-1272

DOI Scopus
Article

Chemically Triggered Formation of Two-Dimensional Epitaxial Quantum Dot Superlattices

Walravens, Willem,De Roo, Jonathan,Drijvers, Emile,Ten Brinck, Stephanie,Solano, Eduardo,Dendooven, Jolien,Detavernier, Christophe,Infante, Ivan,Hens, Zeger

ACS Nano 10(7), 6861-6870

DOI Scopus

2015

9 publications
Article

Electronic structure of Ni2E2 complexes (E = S, Se, Te) and a global analysis of M2E2 compounds: A case for quantized E2n - oxidation levels with n = 2, 3, or 4

Yao, Shu A.,Martin-Diaconescu, Vlad,Infante, Ivan,Lancaster, Kyle M.,Götz, Andreas W.,Debeer, Serena,Berry, John F.

Journal of the American Chemical Society 137(15), 4993-5011

DOI Scopus
Article

The Electronic Structure of the Al3- Anion: Is it Aromatic?

Mercero, Jose M.,Matito, Eduard,Ruipérez, Fernando,Infante, Ivan,Lopez, Xabier,Ugalde, Jesus M.

Chemistry - A European Journal 21(27), 9610-9614

DOI Scopus
Article

The effect of TiO2 surface on the electron injection efficiency in PbS quantum dot solar cells: A first-principles study

Azpiroz, Jon M.,Ugalde, Jesus M.,Etgar, Lioz,Infante, Ivan,De Angelis, Filippo

Physical Chemistry Chemical Physics 17(8), 6076-6086

DOI Scopus
Article

First-Principles Modeling of Core/Shell Quantum Dot Sensitized Solar Cells

Azpiroz, Jon M.,Infante, Ivan,De Angelis, Filippo

Journal of Physical Chemistry C 119(22), 12739-12748

DOI Scopus
Article

Density of trap states and Auger-mediated electron trapping in CdTe quantum-dot solids

Boehme, Simon C.,Azpiroz, Jon Mikel,Aulin, Yaroslav V.,Grozema, Ferdinand C.,Vanmaekelbergh, Daniël,Siebbeles, Laurens D.A.,Infante, Ivan,Houtepen, Arjan J.

Nano Letters 15(5), 3056-3066

DOI Scopus
Article

Theoretical study of the electronic spectra of neutral and cationic NpO and NpO2

Kovács, Attila,Infante, Ivan

Journal of Chemical Physics 143(7)

DOI Scopus
Review

Quantum chemical calculations and experimental investigations of molecular actinide oxides

Kovács, Attila,Konings, Rudy J. M.,Gibson, John K.,Infante, Ivan,Gagliardi, Laura

Chemical Reviews 115(4), 1725-1759

DOI Scopus
Article

"darker-than-black" PbS quantum dots: Enhancing optical absorption of colloidal semiconductor nanocrystals via short conjugated ligands

Giansante, Carlo,Infante, Ivan,Fabiano, Eduardo,Grisorio, Roberto,Suranna, Gian Paolo,Gigli, Giuseppe

Journal of the American Chemical Society 137(5), 1875-1886

DOI Scopus
Article

Planar pentacoordinate carbons in CBe54- derivatives

Grande-Aztatzi, Rafael,Cabellos, José Luis,Islas, Rafael,Infante, Ivan,Mercero, José M.,Restrepo, Albeiro,Merino, Gabriel

Physical Chemistry Chemical Physics 17(6), 4620-4624

DOI Scopus

2014

5 publications
Article

Epitaxially connected PbSe quantum-dot films: Controlled neck formation and optoelectronic properties

Sandeep, C. S. Suchand,Azpiroz, Jon Mikel,Evers, Wiel H.,Boehme, Simon C.,Moreels, Iwan,Kinge, Sachin,Siebbeles, Laurens D. A.,Infante, Ivan,Houtepen, Arjan J.

ACS Nano 8(11), 11499-11511

DOI Scopus
Article

Electrochemical control over photoinduced electron transfer and trapping in CdSe-CdTe quantum-dot solids

Boehme, Simon C.,Walvis, T. Ardaan,Infante, Ivan,Grozema, Ferdinand C.,Vanmaekelbergh, Daniël,Siebbeles, Laurens D. A.,Houtepen, Arjan J.

ACS Nano 8(7), 7067-7077

DOI Scopus
Article

Benchmark assessment of density functional methods on group II-VI MX (M = Zn, Cd; X = S, Se, Te) quantum dots

Azpiroz, Jon M.,Ugalde, Jesus M.,Infante, Ivan

Journal of Chemical Theory and Computation 10(1), 76-89

DOI Scopus
Article

An "Intermediate Spin" Nickel hydride complex stemming from delocalized Ni2μ-H)2 bonding

Yao, Shu A.,Corcos, Amanda R.,Infante, Ivan,Hillard, Elizabeth A.,Clérac, Rodolphe,Berry, John F.

Journal of the American Chemical Society 136(39), 13538-13541

DOI Scopus
Article

Quantum dot photoactivation of Pt(IV) anticancer agents: Evidence of an electron transfer mechanism driven by electronic coupling

Infante, Ivan,Azpiroz, Jon M.,Blanco, Nina Gomez,Ruggiero, Emmanuel,Ugalde, Jesus M.,Mareque-Rivas, Juan C.,Salassa, Luca

Journal of Physical Chemistry C 118(16), 8712-8721

DOI Scopus

2013

6 publications
Article

Electronic spectroscopy and electronic structure of diatomic IrSi

Garcia, Maria A.,Vietz, Carolin,Ruipérez, Fernando,Morse, Michael D.,Infante, Ivan

Journal of Chemical Physics 138(15)

DOI Scopus
Article

Theoretic study of the electronic spectra of neutral and cationic PaO and PaO2

Kovács, Attila,Infante, Ivan,Gagliardi, Laura

Structural Chemistry 24(3), 917-925

DOI Scopus
Article

Communication: Chemical bonding in carbon dimer isovalent series from the natural orbital functional theory perspective

Matxain, Jon M.,Ruipérez, Fernando,Infante, Ivan,Lopez, Xabier,Ugalde, Jesus M.,Merino, Gabriel,Piris, Mario

Journal of Chemical Physics 138(15)

DOI Scopus
Article

Molecules with high bond orders and ultrashort bond lengths: CrU, MoU, and WU

Ruipérez, Fernando,Merino, Gabriel,Ugalde, Jesus M.,Infante, Ivan

Inorganic Chemistry 52(6), 2838-2843

DOI Scopus
Article

On the directionality of halogen bonding

Huber, Stefan M.,Scanlon, Joseph D.,Jimenez-Izal, Elisa,Ugalde, Jesus M.,Infante, Ivan

Physical Chemistry Chemical Physics 15(25), 10350-10357

DOI Scopus
Article

A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster

Azpiroz, Jon M.,Matxain, Jon M.,Infante, Ivan,Lopez, Xabier,Ugalde, Jesus M.

Physical Chemistry Chemical Physics 15(26), 10996-11005

DOI Scopus

2012

5 publications
Article

Unexpected trends in halogen-bond based noncovalent adducts

Huber, Stefan M.,Jimenez-Izal, Elisa,Ugalde, Jesus M.,Infante, Ivan

Chemical Communications 48(62), 7708-7710

DOI Scopus
Review

Modeling surface passivation of ZnS quantum dots

Azpiroz, Jon M.,Lopez, Xabier,Ugalde, Jesus M.,Infante, Ivan

Journal of Physical Chemistry C 116(4), 2740-2750

DOI Scopus
Article

Ion energetics in electron-rich nanoplasmas

Heidenreich, Andreas,Infante, Ivan,Ugalde, Jesus M.

New Journal of Physics 14

DOI Scopus
Article

An interpretation of the absorption and emission spectra of the gold dimer using modern theoretical tools

Geethalakshmi, K.R.,Ruipérez, Fernando,Knecht, Stefan,Ugalde, Jesus M.,Morse, Michael D.,Infante, Ivan

Physical Chemistry Chemical Physics 14(24), 8732-8741

DOI Scopus
Article

A first-principles study of II-VI (II = Zn; VI = O, S, Se, Te) semiconductor nanostructures

Azpiroz, Jon M.,Infante, Ivan,Lopez, Xabier,Ugalde, Jesus M.,De Angelis, Filippo

Journal of Materials Chemistry 22(40), 21453-21465

DOI Scopus

2011

7 publications
Article

On the nature of actinide- and lanthanide-metal bonds in heterobimetallic compounds

Vlaisavljevich, Bess,Mirõ, Pere,Cramer, Christopher J.,Gagliardi, Laura,Infante, Ivan,Liddle, Stephen T.

Chemistry - A European Journal 17(30), 8424-8433

DOI Scopus
Article

Complete vs restricted active space perturbation theory calculation of the Cr2 potential energy surface

Ruipérez, Fernando,Aquilante, Francesco,Ugalde, Jesus M.,Infante, Ivan

Journal of Chemical Theory and Computation 7(6), 1640-1646

DOI Scopus
Article

Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: A CASSCF/CASPT2 study

Ruipérez, Fernando,Ugalde, Jesus M.,Infante, Ivan

Inorganic Chemistry 50(19), 9219-9229

DOI Scopus
Article

How accurate are electronic structure methods for actinoid chemistry?

Averkiev, Boris B.,Mantina, Manjeera,Valero, Rosendo,Infante, Ivan,Kovacs, Attila,Truhlar, Donald G.,Gagliardi, Laura

Theoretical Chemistry Accounts 129(3-5), 657-666

DOI Scopus
Article

Matrix infrared spectroscopy and a theoretical investigation of SUO and US2

Andrews, Lester,Wang, Xuefeng,Liang, Binyong,Ruipérez, Fernando,Infante, Ivan,Raw, Adam D.,Ibers, James A.

European Journal of Inorganic Chemistry(28), 4457-4463

DOI Scopus
Article

Pro-oxidant activity of aluminum: Stabilization of the aluminum superoxide radical ion

Mujika, J.I.,Ruipérez, F.,Infante, I.,Ugalde, J.M.,Exley, C.,Lopez, X.

Journal of Physical Chemistry A 115(24), 6717-6723

DOI Scopus
Erratum

Erratum: On the nature of actinide-and lanthanide-metal bonds in heterobimetallic compounds (Chemistry - A European Journal (2011) 17)

Vlaisavljevich, Bess,Miró, Pere,Cramer, Christopher J.,Gagliardi, Laura,Infante, Ivan,Liddle, Stephen T.

Chemistry - A European Journal 17(31), 8509

DOI Scopus

2010

5 publications
Article

Ionization energies for the actinide mono- and dioxides series, from Th to Cm: Theory versus experiment

Infante, Ivan,Kovacs, Attila,MacChia, Giovanni La,Shahi, Abdul Rehaman Moughal,Gibson, John K.,Gagliardi, Laura

Journal of Physical Chemistry A 114(19), 6007-6015

DOI Scopus
Article

Noble gas matrices may change the electronic structure of trapped molecules: The UO2(Ng)4 [Ng = Ne, Ar] case

Infante, Ivan,Andrews, Lester,Wang, Xeufeng,Gagliardi, Laura

Chemistry - A European Journal 16(43), 12804-12807

DOI Scopus
Article

Equilibrium mercury isotope fractionation between dissolved Hg(II) species and thiol-bound Hg

Wiederhold, Jan G.,Cramer, Christopher J.,Daniel, Kelly,Infante, Ivan,Bourdon, Bernard,Kretzschmar, Ruben

Environmental Science and Technology 44(11), 4191-4197

DOI Scopus
Book chapter

Aromaticity in All-Metal Rings

Mercero, Jose M.,Infante, Ivan,Ugalde, Jesus M.

Atoms, Molecules, and Clusters Structure, Reactivity, and Dynamics: Aromaticity and Metal Clusters, 323-337

DOI Scopus
Article

U and P4 reaction products: A quantum chemical and matrix isolation spectroscopic investigation

Vlaisavljevich, Bess,Gagliardi, Laura,Wang, Xuefeng,Liang, Binyong,Andrews, Lester,Infante, Ivan

Inorganic Chemistry 49(20), 9230-9235

DOI Scopus

2009

3 publications
Article

Matrix infrared spectroscopic and computational investigation of late lanthanide metal hydride species MHx(H2)y (M = Tb-Lu, x = 1-4, y = 0-3)

Wang, Xuefeng,Andrews, Lester,Infante, Ivan,Gagliardi, Laura

Journal of Physical Chemistry A 113(45), 12566-12572

DOI Scopus
Article

The Chemiionization Reactions Ce + O and Ce + O2: Assignment of the observed chemielectron bands

Todorova, Tanya K.,Infante, Ivan,Gagliardi, Laura,Dyke, John M.

International Journal of Quantum Chemistry 109(10), 2068-2079

DOI Scopus
Article

Binding motifs for lanthanide hydrides: A combined experimental and theoretical study of the MH x(H 2) y species (M = La-Gd; x = 1-4; y = 0-6)

Infante, Ivan,Gagliardi, Laura,Wang, Xuefeng,Andrews, Lester

Journal of Physical Chemistry A 113(11), 2446-2455

DOI Scopus

2008

6 publications
Article

Infrared spectra of the WH4(H2)4 complex in solid hydrogen

Wang, Xuefeng,Andrews, Lester,Infante, Ivan,Gagliardi, Laura

Journal of the American Chemical Society 130(6), 1972-1978

DOI Scopus
Article

The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods

Belpassi, Leonardo,Infante, Ivan,Tarantelli, Francesco,Visscher, Lucas

Journal of the American Chemical Society 130(3), 1048-1060

DOI Scopus
Article

A theoretical study of the ground state and lowest excited states of PuO0/+/+2 and PuO20/+/+2

La Macchia, Giovanni,Infante, Ivan,Raab, Juraj,Gibson, John K.,Gagliardi, Laura

Physical Chemistry Chemical Physics 10(48), 7278-7283

DOI Scopus
Article

Theoretical study of the gas-phase chemiionization reactions La + O and La + O2

Todorova, Tanya K.,Infante, Ivan,Gagliardi, Laura,Dyke, John M.

Journal of Physical Chemistry A 112(34), 7825-7830

DOI Scopus
Article

Infrared spectroscopy of discrete uranyl anion complexes

Groenewold, Gary S.,Gianotto, Anita K.,McIlwain, Michael E.,Van Stipdonk, Michael J.,Kullman, Michael,Moore, David T.,Polfer, Nick,Oomens, Jos,Infante, Ivan,Visscher, Lucas,Siboulet, Bertrand,De Jong, Wibe A.

Journal of Physical Chemistry A 112(3), 508-521

DOI Scopus
Article

Is fullerene C60 large enough to host a multiply bonded dimetal?

Infante, Ivan,Gagliardi, Laura,Scuseria, Gustavo E.

Journal of the American Chemical Society 130(23), 7459-7465

DOI Scopus

2007

3 publications
Article

Experimental and theoretical evidence for U(C 6H 6) and Th(C 6H 6) complexes

Infante, Ivan,Raab, Juraj,Lyon, Jonathan T.,Liang, Binyong,Andrews, Lester,Gagliardi, Laura

Journal of Physical Chemistry A 111(47), 11996-12000

DOI Scopus
Article

New investigations of geometric, electronic, and spectroscopic properties of tetrapyrrolic macrocycles by a TD-DFT approach. Carbon, nitrogen, and chalcogen (O, S, Se) peripheral substitution effects on Ni(II) porphyrazinato complexes

Infante, Ivan,Lelj, Francesco

Journal of Chemical Theory and Computation 3(3), 838-851

DOI Scopus
Article

A Fock space coupled cluster study on the electronic structure of the UO2, UO2+, U4+, and U5+ species

Infante, Ivan,Eliav, Ephraim,Vilkas, Marius J.,Ishikawa, Yasuyuki,Kaldor, Uzi,Visscher, Lucas

Journal of Chemical Physics 127(12)

DOI Scopus

2006

2 publications
Article

A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ion

Infante, Ivan,Van Stralen, Bas,Visscher, Lucas

Journal of Computational Chemistry 27(11), 1156-1162

DOI Scopus
Article

On the performance of the intermediate Hamiltonian Fock-space coupled-cluster method on linear triatomic molecules: The electronic spectra of NpO2+, NpO22+, and PuO 22+

Infante, Ivan,Gomes, André Severo Pereira,Visscher, Lucas

Journal of Chemical Physics 125(7)

DOI Scopus

2004

2 publications
Article

The importance of spin-orbit coupling and electron correlation in the rationalization of the ground state of the CUO molecule

Infante, Ivan,Visscher, Lucas

Journal of Chemical Physics 121(12), 5783-5788

DOI Scopus
Article

QM/MM Study of Aqueous Solvation of the Uranyl Fluoride [UO 2F42-] Complex

Infante, Ivan,Visscher, Lucas

Journal of Computational Chemistry 25(3), 386-392

DOI Scopus

2003

2 publications
Article

Role of methyl substitution on the spectroscopic properties of porphyrazines. A TDDFT study using pure and hybrid functionals on porphyrazine and its octamethyl derivative

Infante, Ivan,Lelj, Francesco

Chemical Physics Letters 367(3-4), 308-318

DOI Scopus
Article

A first theoretical study on the origin of the metal-mediated regioselective opening of 2,3-epoxy alcohols

Infante, Ivan,Bonini, Carlo,Lelj, Francesco,Righi, Giuliana

Journal of Organic Chemistry 68(10), 3773-3780

DOI Scopus