


Nanocrystals with Computers
Infante Lab

Recent Publications on Quantum Dots
A full list of publications other than this field can be found at Google Scholar
2018
23. Colloidal CsPbX3 (X = Cl, Br, I) Nanocrystals 2.0: Zwitterionic Capping Ligands for Improved Durability and Stability
Franziska Krieg, Stefan T. Ochsenbein, Sergii Yakunin, Stephanie ten Brinck, Philipp Aellen, Adrian Süess, Baptiste Clerc, Dominic Guggisberg, Olga Nazarenko, Yevhen Shynkarenko, Sudhir Kumar, Chih-Jen Shih, Ivan Infante, and Maksym V. Kovalenko
ACS Energy Lett., 2018, 3, pp 641–646
DOI: 10.1021/acsenergylett.8b00035

22. Ligand Displacement Exposes Binding Site Heterogeneity on CdSe Nanocrystal Surfaces
Emile Drijvers, Jonathan De Roo, José C. Martins, Ivan Infante, Zeger Hens
Chem. Mater., 2018, 30 (3), pp 1178–1186
DOI: 10.1021/acs.chemmater.7b05362

21. Continuous-wave infrared optical gain and amplified spontaneous emission at ultralow threshold by colloidal HgTe quantum dots
Pieter Geiregat, Arjan J. Houtepen, Laxmi Kishore Sagar, Ivan Infante, Felipe Zapata, Valeriia Grigel, Guy Allan, Christophe Delerue, Dries Van Thourhout, Zeger Hens
Nature Materials, ASAP
DOI:10.1038/nmat5000

2017
20. Surface Traps in Colloidal Quantum Dots: A Combined Experimental and Theoretical Perspective
Carlo Giansante, Ivan Infante
Journal of Physical Chemistry Letters, ASAP
DOI:10.1021/acs.jpclett.7b02193

19. Binding and Packing in Two-Component Colloidal Quantum Dot Ligand Shells: Linear Versus Branched Carboxylates
Kim De Nolf, Salvatore M. Cosseddu, Jacek J. Jasieniak, Emile Drijvers, Jose C. Martins, Ivan Infante, Zeger Hens
Journal of the American Chemical Society 02/2017; 139(9)
DOI:10.1021/jacs.6b11328

18. Quantum-Confined and Enhanced Optical Absorption of Colloidal PbS Quantum Dots at Wavelengths with Expected Bulk Behavior
Doriana Debellis, Giuseppe Gigli, Stephanie ten Brinck, Ivan Infante, Carlo Giansante
Nano Letters 01/2017; 17(2)
DOI:10.1021/acs.nanolett.6b05087

17. On the Origin of Surface Traps in Colloidal II–VI Semiconductor Nanocrystals
Arjan Houtepen, Zeger Hens, Jonathan S Owen, Ivan Infante
Chem. Mater., 2017, 29 (2), pp 752–761

16. Force Field Parametrization of Colloidal CdSe Nanocrystals Using an Adaptive Rate Monte Carlo Optimization Algorithm
Salvatore Cosseddu and Ivan Infante
J. Chem. Theory Comput., 2017, 13 (1), 297–308
DOI : 10.1021/acs.jctc.6b01089
2016
15. Surface Termination, Morphology, and Bright Photoluminescence of Cesium Lead Halide Perovskite Nanocrystals
Stephanie ten Brinck and Ivan Infante, ACS Energy Lett., 2016, 1 (6), 1266–1272, DOI: 10.1021/acsenergylett.6b00595
14. Chemically Triggered Formation of Two-Dimensional Epitaxial Quantum Dot Superlattices
Willem Walravens, Jonathan De Roo, Emile Drijvers, Stephanie ten Brinck, Eduardo Solano, Jolien Dendooven, Christophe Detavernier, Ivan Infante, and Zeger Hens, ACS Nano, 2016, 10 (7), 6861–6870, DOI : 10.1021/acsnano.6b02562
2015
13. First-Principles Modeling of Core/Shell Quantum Dot Sensitized Solar Cells
Jon Mikel Azpiroz, Ivan Infante, Filippo De Angelis, J. Phys. Chem. C, 2015, 119 (22), pp 12739–12748, DOI: 10.1021/acs.jpcc.5b02987
12. Density of Trap States and Auger-mediated Electron Trapping in CdTe Quantum-Dot Solids
Simon C. Boehme, Ion Mikel Azpiroz, Yaroslav Aulin, Ferdinand C. Grozema, Daniël Vanmaekelbergh, Laurens D.A. Siebbeles, Ivan Infante and Arjan J. Houtepen, Nano Letters, 2015, 15 (5), 3056-3066, DOI: 10.1021/acs.nanolett.5b00050
11. The Effect of TiO2 Morphology on the Electron Injection Efficiency in PbS Quantum Dot Solar Cells: a Density Functional Theory Study
J.M. Azpiroz, J.M. Ugalde, I. Infante, F. De Angelis, Phys. Chem. Chem. Phys., 2015, 17 (8), 6076-6086, DOI: 10.1039/C4CP04976D
10. ‘Darker-than-Black’ PbS Quantum Dots: Enhancing Optical Absorption of Colloidal Semiconductor Nanocrystals via Short Conjugated Ligands
Carlo Giansante,Ivan Infante, Eduardo Fabiano, Roberto Grisorio, Gian Paolo Suranna, Giuseppe Gigli, PJ. Am. Chem. Soc., 2015, 137 (5), 1875-1886, DOI: 10.1021/ja510739q
2014
9. Epitaxially Connected PbSe Quantum-Dot Films: Controlled Neck Formation and Optoelectronic Properties
C.S. Suchand Sandeep, J. M. Azpiroz, W.H. Evers, S. C. Boehme, S. Kinge, L. D. A. Siebbeles, I. Infante, A. J. Houtepen, JACS Nano, 8 2014, (11), 11499-11511, DOI: 10.1021/nn504679k
8. Density of Trap States and Auger-mediated Electron Trapping in CdTe Quantum-Dot Solids
Simon C. Boehme, Ion Mikel Azpiroz, Yaroslav Aulin, Ferdinand C. Grozema, Daniël Vanmaekelbergh, Laurens D.A. Siebbeles, Ivan Infante and Arjan J. Houtepen, Nano Letters, 2015, 15 (5), 3056-3066, DOI: 10.1021/acs.nanolett.5b00050
7. Electrochemical Control over Photoinduced Electron Transfer and Trapping in CdSe-CdTe QD Solids
Simon C. Boehme, T. Ardaan Walvis, Ivan Infante, Ferdinand C. Grozema, Daniel Vanmaekelbergh, Laurens D.A. Siebbeles, Arjan J. Houtepen, ACS Nano, 2014, 8 (7), pp 7067–7077, DOI: 10.1021/nn501985e
6. Quantum Dot Photoactivation of Pt(IV) Anticancer Agents: Evidence of an Electron Transfer Mechanism Driven by Electronic Coupling
I. Infante, J. M. Azpiroz, N. G. Blanco, E. Ruggiero, J. M. Ugalde, J. C. Mareque-Rivas, L. Salassa, J. Phys. Chem. C, 118(16), 8712, (2014), DOI: 10.1021/jp501447q
5. Benchmark Assessment of Density Functional Methods on Group II-VI MX (M=Zn, Cd; X = S, Se, Te) Quantum Dots
J.M. Azpiroz, J.M. Ugalde, I. Infante, J. Chem. Theory and Comp., 10(1), 76, (2014), DOI: 10.1021/ct400513s
2013
4. A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster
J.M. Azpiroz, J.M. Matxain, I. Infante, X. Lopez, J.M. Ugalde, Phys. Chem. Chem. Phys. 15, 10996-11005, (2013), DOI: 10.1039/C3CP51687C
3. Chemically Triggered Formation of Two-Dimensional Epitaxial Quantum Dot Superlattices
Willem Walravens, Jonathan De Roo, Emile Drijvers, Stephanie ten Brinck, Eduardo Solano, Jolien Dendooven, Christophe Detavernier, Ivan Infante, and Zeger Hens, ACS Nano, 2016, 10 (7), 6861–6870, DOI : 10.1021/acsnano.6b02562
2012
2. First Principles Study of II-VI (II = Zn; VI = O, S, Se, Te) Semiconductor Nanostructures
J.M. Azpiroz, I. Infante, X. Lopez, J.M. Ugalde, F. de Angelis, J. Mat. Chem, 22, 21453, (2012), DOI: 10.1039/C2JM33744D
1. Modeling Surface Passivation of ZnS Quantum Dots
J.M. Azpiroz, X. Lopez, J.M. Ugalde, I. Infante, J. Phys. Chem. C, 116, 4, 2740, (2012), DOI: 10.1021/jp209863p