Zobrazeno 1 - 10
of 30
pro vyhledávání: '"Xianshi, Zeng"'
Publikováno v:
Metals, Vol 14, Iss 7, p 789 (2024)
This study employs first-principles calculations to examine structural, elastic, and mechanistic relationships of Mg2Ni alloys under varying conditions of pressure. The investigation encompasses Young’s modulus, bulk modulus, shear modulus, Poisson
Externí odkaz:
https://doaj.org/article/47036e1c441e47d2942add8d48e5f791
Publikováno v:
Molecules, Vol 29, Iss 12, p 2896 (2024)
Metal–organic frameworks have demonstrated great capacity in catalytic CO2 reduction due to their versatile pore structures, diverse active sites, and functionalization capabilities. In this study, a novel electrocatalytic framework for CO2 reducti
Externí odkaz:
https://doaj.org/article/1c0d49afe30b41e38977e3831172a909
Publikováno v:
Molecules, Vol 29, Iss 10, p 2320 (2024)
This study investigates the utilisation of organometallic network frameworks composed of fourth-period transition metals and tetrahydroxyquinone (THQ) in electrocatalytic CO2 reduction. Density functional theory (DFT) calculations were employed in an
Externí odkaz:
https://doaj.org/article/548002356b9949fcb72e9328c1f2b05a
Publikováno v:
Crystals, Vol 12, Iss 12, p 1741 (2022)
Calculations of first principles were employed to explore the elastic constants of the β-Mg17Al12 intermetallic complex under pressure, along with several related physical parameters, including the bulk modulus, the shear modulus, Young’s modulus,
Externí odkaz:
https://doaj.org/article/26687ab1ccc5439e9cb132b79e48b1ab
Publikováno v:
Nanomaterials, Vol 12, Iss 22, p 4005 (2022)
Electrocatalytic reduction of CO2 to valuable fuels and chemicals can not only alleviate the energy crisis but also improve the atmospheric environment. The key is to develop electrocatalysts that are extremely stable, efficient, selective, and reaso
Externí odkaz:
https://doaj.org/article/55dc3188af8943a582fa817bad3125ff
Publikováno v:
Nanomaterials, Vol 12, Iss 22, p 4049 (2022)
The resource utilization of CO2 is one of the essential avenues to realize the goal of “double carbon”. The metal–organic framework (MOF) has shown promising applications in CO2 catalytic reduction reactions due to its sufficient pore structure
Externí odkaz:
https://doaj.org/article/73065e28b747405b9349c0079594f4c8
Publikováno v:
High Temperatures-High Pressures. 52:3-18
The pressure dependence of the lattice and elastic constants of the binary precipitates γ-TiAl, DO22-Al3Ti and α2-Ti3Al are firstly investigated by using a first-principles approach. The calculated results at 0 GPa and 0 K agree well with the exis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9cdeea208f9811fba05ccafc929a6a3a
https://doi.org/10.32908/hthp.v52.1133
https://doi.org/10.32908/hthp.v52.1133
Autor:
Luliang Liao, Guomin Xia, Fuqing Yu, Xian Liu, Minxing Shu, Guangyao Zhang, Xianshi Zeng, Hongming Wang
Publikováno v:
Small.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a9e0aa36d1af09f6f651a74302923090
https://doi.org/10.1002/smll.202300926
https://doi.org/10.1002/smll.202300926
Autor:
Yufeng, Wen, Xianshi, Zeng, Yuanxiu, Ye, Qingdong, Gou, Bo, Liu, Zhangli, Lai, Daguo, Jiang, Xinyuan, Sun, Minghui, Wu
Publikováno v:
Materials (Basel, Switzerland). 15(12)
The formations of long-period superstructures strongly influence the properties of Al-rich L10-TiAl intermetallic alloys. To soundly understand the role of the superstructures in the alloys, fundamentals about them have to be known. In the present wo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::3daa5d20dda06026d8032b2dad37e2bc
https://pubmed.ncbi.nlm.nih.gov/35744295
https://pubmed.ncbi.nlm.nih.gov/35744295
Publikováno v:
High Temperatures-High Pressures. 50:185-195
Results of first principles calculations of the lattice parameter, elastic constants and some thermody-namic properties in a wide range of pressures and temperatures are reported for the B2 structure AgY and CuY. The calculated lattice and elastic co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e803f6f19d37edfe6c9600320f9e63e4
https://doi.org/10.32908/hthp.v50.945
https://doi.org/10.32908/hthp.v50.945