Zobrazeno 1 - 10
of 31
pro vyhledávání: '"J. T. Arantes"'
Publikováno v:
Langmuir. 37:4493-4503
Perovskite oxide heterostructures have been extensively investigated for their excellent photocatalytic properties. Here, through hybrid density functional theory calculations, we systematically investigate the formation of NaNbO3-NaTaO3 (NBO-NTO) he
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a85a3a25dbaa4c7f45679cbae3b9f9a8
https://doi.org/10.1021/acs.langmuir.0c03653
https://doi.org/10.1021/acs.langmuir.0c03653
Publikováno v:
Physical Chemistry Chemical Physics. 22:7250-7258
Sodium tantalate nanostructures have been classified among the best materials to conduct photocatalytic reactions. Therefore, understanding the relationship between nanoscale surface phenomena and photocatalytic properties is of fundamental importanc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::75eb0674c7214f8afe4a7d97d1c733ea
https://doi.org/10.1039/c9cp06769h
https://doi.org/10.1039/c9cp06769h
Publikováno v:
Physical Chemistry Chemical Physics. 22:23810-23815
Photocatalysis-assisted water splitting using semiconductor materials greatly depends on the bandgap size and the alignment of band edges relative to the reaction potentials. We used ab initio computational methods to show that the biaxial strain on
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc0fe7402fe7aaba7b4b6cf68f128271
https://doi.org/10.1039/d0cp04322b
https://doi.org/10.1039/d0cp04322b
Publikováno v:
Ceramics International. 45:18167-18188
Researches on new 2D materials have been intensively performed over the years, strongly motivated by graphene's outstanding properties. One of the most promising classes of 2D materials under investigation is the MXenes, which are compounds obtained
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5983e16d06bb573729c1a545d24acff9
https://doi.org/10.1016/j.ceramint.2019.06.114
https://doi.org/10.1016/j.ceramint.2019.06.114
Publikováno v:
Scientific Reports, Vol 10, Iss 1, Pp 1-8 (2020)
Ultrathin films of perovskites have attracted considerable attention once they fit in numerous applications. Over the years, controlling and tuning their properties have been attainable when biaxial strain is applied. Through ab initio DFT calculatio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a3c5a7ad34faf134e5c518b37346076
https://doi.org/10.1038/s41598-020-64315-7
https://doi.org/10.1038/s41598-020-64315-7
Autor:
Cintia Kawai, J. T. Arantes, Érica G. A. Miranda, Juliana C. Araujo-Chaves, Iseli L. Nantes-Cardoso, Igor W. R. Dias, Adrianne M. M. Brito
Publikováno v:
Frontiers in Chemistry
Frontiers in Chemistry, Vol 7 (2020)
Frontiers in Chemistry, Vol 7 (2020)
Ca2+-overload contributes to the oxidation of mitochondrial membrane lipids and associated events such as the permeability transition pore (MPTP) opening. Numerous experimental studies about the Ca2+/cardiolipin (CL) interaction are reported in the l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d434d4bbc47786af4762092dcb34ac42
http://europepmc.org/articles/PMC6986261
http://europepmc.org/articles/PMC6986261
Publikováno v:
Computational Materials Science. 149:91-97
We investigated a nanoporous zinc oxide, under elastic biaxial strain, through first-principles methods based on total energy ab initio calculations using spin-polarized Density Functional Theory. The system was in a high nanopore concentration regim
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::19e087a1c654e540431c046533715e2d
https://doi.org/10.1016/j.commatsci.2018.03.002
https://doi.org/10.1016/j.commatsci.2018.03.002
Publikováno v:
Nano Express. 2:010016
Two-dimensional (2D) carrier gases in perovskite surfaces and interfaces have been intensely studied since their properties are attractive to many functional devices and applications. Here, we demonstrate through ab initio DFT calculations that surfa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef5a48ac8afd367746f216279f0dc545
https://doi.org/10.1088/2632-959x/abe01d
https://doi.org/10.1088/2632-959x/abe01d
Autor:
Sydney Ferreira Santos, J. T. Arantes, C. Moyses Araujo, Rodrigo Mantovani Ronchi, Cleber F. N. Marchiori
Publikováno v:
Applied Surface Science. 528:146526
The recently discovered MXenes are promising candidates as reinforcements for nanocomposites due to their high mechanical properties, thermal and electrical conductivities. These properties are strongly affected by the presence of surface functional
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::79f7724d5b669dd8cf7f19c9f7b43e7a
https://doi.org/10.1016/j.apsusc.2020.146526
https://doi.org/10.1016/j.apsusc.2020.146526
Publikováno v:
Applied Surface Science. 502:144206
Sodium tantalate (NaTaO3) structures have been considered one of the most promising materials to conduct water splitting photocatalytic reactions. Understanding the structural and electronic behavior of atomically distinct surfaces is of fundamental
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4366a331042598d5527944d21f23ec9
https://doi.org/10.1016/j.apsusc.2019.144206
https://doi.org/10.1016/j.apsusc.2019.144206