Výsledky vyhledávání - "Gabriel Kossaka Macedo"

The performance of exchange—correlation functionals in describing electron density parameters of saddle point structures along chemical reactions

Autor: Roberto Haiduke, Gabriel Kossaka Macedo

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

This work is focused on evaluating the performance of exchange-correlation functionals from density functional theory in providing descriptor values derived from the electron density of saddle point structures (transition states) in chemical reaction

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::360acaa415f0ba7526449164b675a6c7

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Development of bismuth oxyhalides for organic pollutant photodegradation and water oxidation: effect of synthesis parameter and halide species

Autor: Gabriel Kossaka Macedo, Caue Ribeiro, Osmando Lopes, Eduardo Henrique Dias

Publikováno v: Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP
Journal of the Brazilian Chemical Society v.33 n.8 2022
Journal of the Brazilian Chemical Society
Sociedade Brasileira de Química (SBQ)
instacron:SBQ

The development of visible-light active photocatalysts is vital to harvest the solar irradiation and build efficient photoelectrochemical devices. Bismuth oxyhalide (BiOCl, BiOBr and BiOI) materials stand out due to their remarkable properties, e.g.,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ff37a8ca00ff1507963b98daf0909333

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