Zobrazeno 1 - 10
of 26
pro vyhledávání: '"Haigen, Gao"'
Autor:
Haigen Gao, Bing Wang
Publikováno v:
APL Materials, Vol 12, Iss 9, Pp 091117-091117-14 (2024)
A study on Jahn–Teller distortion reveals that the configuration with Ti-substitution is more stable than that in the case of Ba-replacement. However, magnetoelectric coupling is weak as no spontaneous polarization is formed in the doped unit cell.
Externí odkaz:
https://doaj.org/article/67ef9c16aaa04369b5a7467b6e2b4a87
Publikováno v:
Nanomaterials, Vol 14, Iss 7, p 586 (2024)
The magnetization mechanism of Co-doped BaTiO3 ultrathin films is a subject of debate, which results in difficulties with the design of new multiferroics based on BaTiO3 matrixes. With the aid of a first-principles approach, it was observed that when
Externí odkaz:
https://doaj.org/article/b6506074f5bd4604854e9e566d88588f
Publikováno v:
Nanomaterials, Vol 9, Iss 2, p 269 (2019)
In this work, the multiferroic property of Ba-deficient BaTiO3 (001) ultrathin film is studied employing the first-principles approach. The BaTiO3 (001) ultrathin film is more energetically stable and behaves as a semiconductor relative to the (111)
Externí odkaz:
https://doaj.org/article/4b4d198ab518460dadbfaa973ecc2220
Publikováno v:
Ceramics International. 46:24682-24688
A first-principles approach was utilized to investigate the magnetoelectric coupling behaviour of two-dimensional BaTiO3 (001) ultrathin films with surface Ba vacancy under different strains. The total magnetic moment was suppressed when compressive
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6a35e402efed8fa0228b943ac4c8f874
https://doi.org/10.1016/j.ceramint.2020.06.258
https://doi.org/10.1016/j.ceramint.2020.06.258
Publikováno v:
Applied Surface Science. 601:154240
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::19abca9030a2c30082896755ece15cdf
https://doi.org/10.1016/j.apsusc.2022.154240
https://doi.org/10.1016/j.apsusc.2022.154240
Publikováno v:
Physical Chemistry Chemical Physics. 22:18284-18293
A first-principles approach is utilized to study the magnetoelectric coupling induced by Fe in two-dimensional BaTiO3(001) ultrathin film. It is observed that the Fe impurity increases the total magnetic moment but suppresses the spontaneous polariza
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::66744b995673fbfeaacde40029cf9e13
https://doi.org/10.1039/d0cp01968b
https://doi.org/10.1039/d0cp01968b
Publikováno v:
Physical Chemistry Chemical Physics. 22:1833-1840
A first-principles approach is employed to study the influences of the metal species Al, Zr, Mo and Tc on the mechanical properties of U3Si2. When the Al, Zr, Mo and Tc atoms diffuse into the vacancy sites, they dissolve into the lattice, as confirme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::271970869e45f3f5b7be0ef1fd2ce288
https://doi.org/10.1039/c9cp03814k
https://doi.org/10.1039/c9cp03814k
Autor:
Xiaohong Zhang, Shiyu Du, Haigen Gao, Qing Huang, Jun Ding, Jiajian Lang, Yingjie Qiao, Timothy C. Germann
Publikováno v:
Progress in Nuclear Energy. 116:87-94
The uranium silicide U3Si5 has been utilized as the second phase in the UN-U3Si5 composite fuel. However, there have thus far been few theoretical investigations on its microscopic structure and mechanical behaviors. In this work, the electronic stru
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::51f609f90ca216074dc847b1d1a7d7eb
https://doi.org/10.1016/j.pnucene.2019.03.045
https://doi.org/10.1016/j.pnucene.2019.03.045
Publikováno v:
Physical chemistry chemical physics : PCCP. 22(33)
A first-principles approach is utilized to study the magnetoelectric coupling induced by Fe in two-dimensional BaTiO
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::7ca6de3f54fd63d06ce799de74496b99
https://pubmed.ncbi.nlm.nih.gov/32666983
https://pubmed.ncbi.nlm.nih.gov/32666983
Autor:
Yanrong Li, Shan Cong, Jianwen Huang, Yinghui Sun, Jie Xiong, Guifu Zou, Haigen Gao, Jun Guo, Shiyu Du, Yufei Xia
Publikováno v:
Nano Energy. 46:305-313
Defect introduction is one of the most important motivations to produce highly efficient electrocatalyst in the field of water splitting. Here we report the visible-light enhanced photoelectrochemical performance derived from defect-rich ReS2 nanoshe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e1c4815e015a7311a0e3f1214a617564
https://doi.org/10.1016/j.nanoen.2018.02.003
https://doi.org/10.1016/j.nanoen.2018.02.003