Articoli con mandati relativi all'accesso pubblico - Ivano E. CastelliUlteriori informazioni
Non disponibili pubblicamente: 15
Oxygen Evolution Reaction on La1–xSrxCoO3 Perovskites: A Combined Experimental and Theoretical Study of Their Structural, Electronic, and Electrochemical …
X Cheng, E Fabbri, M Nachtegaal, IE Castelli, M El Kazzi, R Haumont, ...
Chemistry of Materials 27 (22), 7662-7672, 2015
Mandati: Swiss National Science Foundation
New cubic perovskites for one-and two-photon water splitting using the computational materials repository
IE Castelli, DD Landis, KS Thygesen, S Dahl, I Chorkendorff, TF Jaramillo, ...
Energy & Environmental Science 5 (10), 9034-9043, 2012
Mandati: Danish National Research Foundation
Unraveling thermodynamics, stability, and oxygen evolution activity of strontium ruthenium perovskite oxide
BJ Kim, DF Abbott, X Cheng, E Fabbri, M Nachtegaal, F Bozza, IE Castelli, ...
Acs Catalysis 7 (5), 3245-3256, 2017
Mandati: Swiss National Science Foundation
Oxidation of ethylene carbonate on Li metal oxide surfaces
TM Østergaard, L Giordano, IE Castelli, F Maglia, BK Antonopoulos, ...
The Journal of Physical Chemistry C 122 (19), 10442-10449, 2018
Mandati: Carlsberg Foundation DK
Calculated optical absorption of different perovskite phases
IE Castelli, KS Thygesen, KW Jacobsen
Journal of Materials Chemistry A 3 (23), 12343-12349, 2015
Mandati: US Department of Energy, Danish Council for Independent Research
Electronic structure and trap states of two-dimensional ruddlesden–popper perovskites with the relaxed Goldschmidt tolerance factor
M Liang, W Lin, Z Lan, J Meng, Q Zhao, X Zou, IE Castelli, T Pullerits, ...
ACS Applied Electronic Materials 2 (5), 1402-1412, 2020
Mandati: Danish Council for Independent Research, Swedish Research Council
Rational catalyst design for higher propene partial electro-oxidation activity by alloying Pd with Au
L Silvioli, A Winiwarter, SB Scott, IE Castelli, PG Moses, I Chorkendorff, ...
The Journal of Physical Chemistry C 126 (34), 14487-14499, 2022
Mandati: Danish National Research Foundation, Villum Foundation, Innovation Fund Denmark
Transformations of 2D to 3D Double-Perovskite Nanoplates of Cs2AgBiBr6 Composition
S Dror, S Khalfin, N Veber, A Lang, Y Kauffmann, M Koifman Khristosov, ...
Chemistry of Materials 35 (3), 1363-1372, 2023
Mandati: European Commission
How Does Local Strain Affect Stokes Shifts in Halide Double Perovskite Nanocrystals?
S Shaek, S Khalfin, EH Massasa, A Lang, S Levy, LTJ Kortstee, ...
Chemistry of Materials 35 (21), 9064-9072, 2023
Mandati: European Commission
Rapid Solid‐State Gas Sensing Realized via Fast K+ Transport Kinetics in Earth Abundant Rock‐Silicates
M Khoshkalam, YA Farzin, BH Sjølin, C Spezzati, P Holtappels, IE Castelli, ...
Advanced Engineering Materials, 2024
Mandati: Danish Council for Independent Research
Computational Screening of Light-absorbing Materials for Photoelectrochemical Water Splitting
IE Castelli, K Kuhar, M Pandey, KW Jacobsen
Advances in Photoelectrochemical Water Splitting: Theory, Experiment and …, 2018
Mandati: Villum Foundation
Tunable Ferroionic Properties in CeO2/BaTiO3 Heterostructures
M Vasiljevic, F Chiabrera, D Alikin, F Motti, A Bergne, J Zamudio-García, ...
ACS Applied Materials & Interfaces 16 (38), 50679-50689, 2024
Mandati: European Commission
Computational Investigation of LiF Formation at Graphite–Electrolyte Interfaces
X Qin, A Bhowmik, T Vegge, IE Castelli
ACS Applied Materials & Interfaces, 2024
Mandati: European Commission
Structural and electronic properties of double wall MoSTe nanotubes
Z Lan, TIM Kapunan, T Vegge, IE Castelli
Physical Chemistry Chemical Physics 25 (33), 22155-22160, 2023
Mandati: US Department of Energy, Villum Foundation
Generation of Computational Data Sets for Machine Learning Applied to Battery Materials
A Bhowmik, FT Bölle, IE Castelli, J Hyun Chang, JMG Lastra, ...
Atomic‐Scale Modelling of Electrochemical Systems, 329-354, 2021
Mandati: Villum Foundation
Disponibili pubblicamente: 79
The atomic simulation environment—a Python library for working with atoms
AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ...
Journal of Physics: Condensed Matter 29 (27), 273002, 2017
Mandati: German Research Foundation, Villum Foundation, UK Engineering and Physical …
Two-dimensional materials from high-throughput computational exfoliation of experimentally known compounds
N Mounet, M Gibertini, P Schwaller, D Campi, A Merkys, A Marrazzo, ...
Nature nanotechnology 13 (3), 246-252, 2018
Mandati: Swiss National Science Foundation, European Commission
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
Mandati: US National Science Foundation, US Department of Energy, Swiss National …
High-entropy alloys as a discovery platform for electrocatalysis
TAA Batchelor, JK Pedersen, SH Winther, IE Castelli, KW Jacobsen, ...
Joule 3 (3), 834-845, 2019
Mandati: Villum Foundation, Innovation Fund Denmark, Carlsberg Foundation DK
Precision and efficiency in solid-state pseudopotential calculations
G Prandini*, A Marrazzo*, IE Castelli*, N Mounet, N Marzari, ...
npj Computational Materials 4, 72, 2018
Mandati: European Commission
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