Stability and bandgaps of layered perovskites for one- and two-photon water splitting

Autor: Ivano E Castelli, Juan María García-Lastra, Falco Hüser, Kristian S Thygesen, Karsten W Jacobsen

Publikováno v: New Journal of Physics, Vol 15, Iss 10, p 105026 (2013)

Direct production of hydrogen from water and sunlight requires stable and abundantly available semiconductors with well positioned band edges relative to the water red-ox potentials. We have used density functional theory (DFT) calculations to invest

Externí odkaz: https://doaj.org/article/8f83bd9d51e845e189a6a8be71d27d5a

Transformations of 2D to 3D Double-Perovskite Nanoplates of Cs2AgBiBr6 Composition

Autor: Shaked Dror, Sasha Khalfin, Noam Veber, Arad Lang, Yaron Kauffmann, Maria Koifman Khristosov, Reut Shechter, Boaz Pokroy, Ivano E. Castelli, Yehonadav Bekenstein

Publikováno v: Chemistry of Materials. 35:1363-1372

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::703f5ab5382686843a10ce5442f93c91
https://doi.org/10.1021/acs.chemmater.2c03408

Accelerated Workflow for Antiperovskite‐based Solid State Electrolytes

Autor: Benjamin H. Sjølin, Peter B. Jørgensen, Andrea Fedrigucci, Tejs Vegge, Arghya Bhowmik, Ivano E. Castelli

Publikováno v: Sjølin, B H, Jørgensen, P B, Fedrigucci, A, Vegge, T, Bhowmik, A & Castelli, I E 2023, ' Accelerated Workflow for Antiperovskite-based Solid State Electrolytes ', Batteries and Supercaps, vol. 6, no. 6, e202300041 . https://doi.org/10.1002/batt.202300041

We developed and implemented a multi-target multi-fidelity workflow to explore the chemical space of antiperovskite materials with general formula X3BA (X=Li, Na, Mg) and Pm-3m space group, searching for stable high-performance solid state electrolyt

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0516e62ef64ba7479340f1801fdb9011
https://doi.org/10.1002/batt.202300204

Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO2N

Autor: Maurizia Palummo, Michele Re Fiorentin, Koichi Yamashita, Ivano E. Castelli, Giacomo Giorgi

Publikováno v: Palummo, M, Re Fiorentin, M, Yamashita, K, Castelli, I E & Giorgi, G 2023, ' Study of Optoelectronic Features in Polar and Nonpolar Polymorphs of the Oxynitride Tin-Based Semiconductor InSnO 2 N ', Journal of Physical Chemistry Letters, vol. 14, no. 6, pp. 1548-1555 . https://doi.org/10.1021/acs.jpclett.3c00211

In view of its potential applicability in photoconversion processes, we here discuss the optoelectronic features of the recently proposed tin-based oxynitride material for (photo)catalysis, InSnO2N. In detail, by combining Density Functional and Many

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::642517f5be46e629b36f9d20cbb43333
https://hdl.handle.net/11583/2978130

Synthesis of the Elusive Doublewall Nanotubes and Nanocones(Horns) of MoS 2 via Focused Solar Ablation

Autor: Timothée Barbe, Rita Rosentsveig, Olga Brontvein, M.B. Sreedhara, Kai Zheng, Françoise Bataille, Alexis Vossier, Gilles Flamant, Ivano E. Castelli, Jeffrey M. Gordon, Reshef Tenne

Publikováno v: Advanced Materials Interfaces. 10

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::fa06a880d250b4a15e3f2bad8cd9a510
https://doi.org/10.1002/admi.202201930