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The Journal of Chemical Physics|March 16, 2022
Exploring cesium-tellurium phase space via high-throughput calculations beyond semi-local density-functional theoryHolger-Dietrich Saßnick, Caterina CocchiMicromachines|September 28, 2021
Ab Initio Quantum-Mechanical Predictions of Semiconducting Photocathode MaterialsCaterina Cocchi, Holger-Dietrich SaßnickChemical Science|June 16, 2023
On the non-bonding valence band and the electronic properties of poly(triazine imide), a graphitic carbon nitrideDavid Burmeister, Alberto Eljarrat, Michele Guerrini, et al.Nano Letters|June 17, 2025
Surface Defects and Symmetry Breaking Impact on the Photoluminescence of InP Quantum DotsSurender Kumar, Caterina Cocchi, Torben SteenbockNanoscale|March 19, 2024
Electronic properties of MoSe<sub>2</sub> nanowrinklesStefan Velja, Jannis Krumland, Caterina CocchiPhysical Chemistry Chemical Physics : PCCP|August 26, 2025
<i>Ab initio</i> X-ray near-edge spectroscopy of sodium-based multi-alkali antimonidesChung Xu, Richard Schier, Caterina CocchiACS Photonics|February 26, 2024
Quantum Dots in Transition Metal Dichalcogenides Induced by Atomic-Scale DeformationsJannis Krumland, Stefan Velja, Caterina CocchiThe Journal of Physical Chemistry. B|June 24, 2020
Quantitative Analysis of Doping-Induced Polarons and Charge-Transfer Complexes of Poly(3-hexylthiophene) in SolutionMalavika Arvind, Claudia E Tait, Michele Guerrini, et al.Physical Chemistry Chemical Physics : PCCP|February 19, 2021
Exploring organic semiconductors in solution: the effects of solvation, alkylization, and dopingJannis Krumland, Ana Maria Valencia, Caterina CocchiThe Journal of Physical Chemistry. A|May 12, 2023
Electronic Structure and Optical Properties of Tin Iodide Solution ComplexesFreerk Schütt, Ana M Valencia, Caterina CocchiPageof 7