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Material Type: Artigo
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Physics of band-filling correction in defect calculations of solid-state materialsGopidi, Harshan Reddy ; Vashist, Lovelesh ; Malyi, Oleksandr IRSC advances, 2024-05, Vol.14 (25), p.17675-17683 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Re/Ir@Os-doping induced insulator-to-metal transition in Mott-insulator Ca2FeOsO6: octahedral distortion effectsNazir, SPhysical chemistry chemical physics : PCCP, 2024-05, Vol.26 (19), p.14384-14392 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Non-resonant inelastic X-ray scattering for discrimination of pigmentsDalecky, Lauren ; Sottile, Francesco ; Hung, Linda ; Cazals, Laure ; Desolneux, Agnès ; Chevalier, Aurélia ; Rueff, Jean-Pascal ; Bertrand, LoïcPhysical chemistry chemical physics : PCCP, 2024-01, Vol.26 (5), p.4363-4371 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Molecular-polaron-coupling-enhanced photocatalytic CO2 reduction on copper phthalocyanine/NiMgFe layered double hydroxide nanocompositesLi, Yuexian ; Su, Wenli ; Wang, Xiaoyan ; Lu, Jun ; Zhang, Wenkai ; Wei, ShuoJournal of materials chemistry. A, Materials for energy and sustainability, 2024, Vol.12 (22), p.13168-13180 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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Strategic sampling with stochastic surface walking for machine learning force fields in iron's bcc-hcp phase transitionsWang, Fang ; Yang, Zhi ; Li, Fenglian ; Shao, Jian-Li ; Xu, Li-ChunRSC advances, 2023-10, Vol.13 (45), p.31728-31737 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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Material Type: Artigo
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CRYSTAL23: A Program for Computational Solid State Physics and ChemistryErba, Alessandro ; Desmarais, Jacques K. ; Casassa, Silvia ; Civalleri, Bartolomeo ; Donà, Lorenzo ; Bush, Ian J. ; Searle, Barry ; Maschio, Lorenzo ; Edith-Daga, Loredana ; Cossard, Alessandro ; Ribaldone, Chiara ; Ascrizzi, Eleonora ; Marana, Naiara L. ; Flament, Jean-Pierre ; Kirtman, BernardJournal of chemical theory and computation, 2023-10, Vol.19 (20), p.6891-6932 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Modification of Diamond Surface by Femtosecond Laser PulsesKononenko, Vitali V.Photonics, 2023-10, Vol.10 (10), p.1077 [Periódico revisado por pares]Basel: MDPI AGTexto completo disponível |
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Material Type: Artigo
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Microstructural Evolution and Internal Friction Behavior of a Ferrite/Martensitic Steel Induced By Equal-Channel Angular PressingZhang, G. J. ; Zhang, Q. G. ; Wang, X. G. ; Sun, M. ; Yang, J. F. ; Hao, T. ; Li, G. ; Wang, H. ; Liu, J. G. ; Fang, Q. F. ; Wang, X. P.Metallurgical and materials transactions. A, Physical metallurgy and materials science, 2023-09, Vol.54 (9), p.3489-3502 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
9 |
Material Type: Artigo
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Quantum simulator to emulate lower-dimensional molecular structureSierda, E ; Huang, X ; Badrtdinov, D I ; Kiraly, B ; Knol, E J ; Groenenboom, G C ; Katsnelson, M I ; Rösner, M ; Wegner, D ; Khajetoorians, A AScience (American Association for the Advancement of Science), 2023-06, Vol.380 (6649), p.1048-1052 [Periódico revisado por pares]United States: The American Association for the Advancement of ScienceTexto completo disponível |
10 |
Material Type: Artigo
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Examination of photocatalytic Z-scheme system for overall water splitting with its electronic structureTani, Tadaaki ; Yamaguchi, Yuichi ; Nishimi, Taisei ; Uchida, Takayuki ; Kudo, AkihikoPhysical chemistry chemical physics : PCCP, 2023-04, Vol.25 (16), p.11418-11428 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |