Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Xue-Qian Huang"'
Autor:
Xue-Qian Huang, Xun-Lei Ding, Jian Wang, Ya-Ya Wang, Joseph Israel Gurti, Yan Chen, Meng-Meng Wang, Wei Li, Xin Wang
Activation of dinitrogen (N2) is the critical step in nitrogen reduction reaction (NRR) in ammonia synthesis. In this paper, reaction mechanisms of N2 activation on trimetallic clusters Mo2M (M=Li, Na, K, Mg, and Ca) and Mo3-xCax (x = 2-3) were syste
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0bb33d55a7f37aef26d7ac85671e88c2
https://doi.org/10.21203/rs.3.rs-1262399/v1
https://doi.org/10.21203/rs.3.rs-1262399/v1
Publikováno v:
ChemPhysChem. 23
Activation of N 2 on anionic trimetallic V 3- x Ta x C 4 - ( x = 0-3) clusters was theoretically studied with density functional theory. For all studied clusters, after adsorption of N 2 on one of the metal atoms (denoted as Site 1), N 2 transfers on
Publikováno v:
Acta Physica Polonica A. 134:1163-1169
Publikováno v:
Journal of Physics and Chemistry of Solids. 116:353-359
KCdCO3F is a newly synthesized promising ultraviolet nonlinear optical crystal, but its structure is disputed and its fundamental properties have not been well studied. Here our first-principles study indicates that the structure with the space group
Publikováno v:
Diamond and Related Materials. 82:50-55
Carbon is a versatile element having many allotropes with unique properties in the periodic table. In this work, we predicted a tetragonal carbon allotrope formed by five-membered carbon cages. We studied its electronic, vibrational, dielectric, elas
Publikováno v:
Acta Physica Polonica: A; Dec2018, Vol. 134 Issue 6, p1163-1169, 7p
Publikováno v:
Materials Research Express. 5:035910
Silicon is a very important material in many technological fields. It also has a complicated phase diagram of scientific interest. Here we reported a new allotrope of silicon obtained from crystal structure prediction. We studied its electronic, vibr
Publikováno v:
Materials Research Express; Mar2018, Vol. 5 Issue 3, p1-1, 1p
Autor:
Xue, Changyue (AUTHOR), Huang, Qian (AUTHOR), Zhang, Tao (AUTHOR), Zhao, Dan (AUTHOR), Ma, Quanquan (AUTHOR), Tian, Taoran (AUTHOR), Cai, Xiaoxiao (AUTHOR)
Publikováno v:
Cell Proliferation. Mar2019, Vol. 52 Issue 2, pN.PAG-N.PAG. 1p.
Autor:
Huang, Xue-Qian, Ding, Xun-Lei, Wang, Jian, Wang, Ya-Ya, Gurti, Joseph Israel, Chen, Yan, Wang, Meng-Meng, Li, Wei, Wang, Xin
Publikováno v:
Structural Chemistry; Feb2023, Vol. 34 Issue 1, p87-96, 10p