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We present a detailed first-principles analysis of the (001) surface of methylammonium lead triiodide (MAPbI3). With density-functional theory we investigate the atomic and electronic structure of the tetragonal (I4cm) phase of MAPbI3. We analysed su
Externí odkaz:
http://arxiv.org/abs/2108.10523
The (001) surface of the emerging photovoltaic material cesium lead triiodide (CsPbI3 ) is studied. Using first-principles methods, we investigate the atomic and electronic structure of cubic ({\alpha}) and orthorhombic ({\gamma}) CsPbI3 . For both p
Externí odkaz:
http://arxiv.org/abs/2011.04269
We developed a high-throughput screening scheme to acquire candidate coating materials for hybrid perovskites. From more than 1.8 million entries of an inorganic compound database, we collected 93 binary and ternary materials with promising propertie
Externí odkaz:
http://arxiv.org/abs/1903.00898
Publikováno v:
Journal of Chemical Physics; 2/21/2021, Vol. 154 Issue 7, p1-11, 11p
openaire: EC/H2020/676580/EU//NoMaD We developed a high-throughput screening scheme to acquire candidate coating materials for hybrid perovskites. From more than 1.8 million entries of an inorganic compound database, we collected 93 binary and ternar
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______661::d0c159824fa1def20d7b2e49dde6e89e
https://aaltodoc.aalto.fi/handle/123456789/40329
https://aaltodoc.aalto.fi/handle/123456789/40329
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