Zobrazeno 1 - 10
of 106
pro vyhledávání: '"Hai-Gang Lu"'
Autor:
Min Zhang, Wei-Ping Jia, Ting Zhang, Bin-Bin Pei, Jia Xu, Xinxin Tian, Hai-Gang Lu, Si-Dian Li
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-9 (2022)
Abstract Boron and boron-based nanoclusters exhibit unique structural and bonding patterns in chemistry. Extensive density functional theory calculations performed in this work predict the mononuclear walnut-like C i C50B54 (1) (C2B10@C48B44), C 1 C5
Externí odkaz:
https://doaj.org/article/bc3bad4a060f4def9b2fc9b36822b7f4
Autor:
Wei-Jia Chen, Teng-Teng Chen, Qiang Chen, Hai-Gang Lu, Xiao-Yun Zhao, Yuan-Yuan Ma, Qiao-Qiao Yan, Rui-Nan Yuan, Si-Dian Li, Lai-Sheng Wang
Publikováno v:
Communications Chemistry, Vol 5, Iss 1, Pp 1-7 (2022)
Despite its electron deficiency, boron can form multiple bonds with a variety of elements, but such bonds between boron and main-group metal elements are relatively rare. Here, the authors characterize boron–lead multiple bonds in PbB2O- and PbB3O2
Externí odkaz:
https://doaj.org/article/631657c63f734dc292a10d8d4a30f8cd
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-7 (2017)
Abstract With inspirations from recent discoveries of the cage-like borospherene B40 and perfectly planar Co ∈ B18 − and based on extensive global minimum searches and first-principles theory calculations, we present herein the possibility of the
Externí odkaz:
https://doaj.org/article/f4b0e84b4c0b45f8b71c65349c6ca4c0
Publikováno v:
ACS Materials Letters. 4:1863-1871
Autor:
Min Zhang, Wei-Ping Jia, Ting Zhang, Bin-Bin Pei, Jia Xu, Xinxin Tian, Hai-Gang Lu, Si-Dian Li
Boron and boron-based nanoclusters exhibit unique structural and bonding patterns in chemistry. Extensive density functional theory calculations performed in this work predict the mononuclear walnut-like Ci C50B54 (1) (C2B10@C48B44), C1 C50B54 (2) (C
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aab96678a0bef3d6daa2b81a5bcf7fc6
https://doi.org/10.21203/rs.3.rs-1954604/v1
https://doi.org/10.21203/rs.3.rs-1954604/v1
Autor:
Min, Zhang, Wei-Ping, Jia, Ting, Zhang, Bin-Bin, Pei, Jia, Xu, Xinxin, Tian, Hai-Gang, Lu, Si-Dian, Li
Publikováno v:
Scientific reports. 12(1)
Boron and boron-based nanoclusters exhibit unique structural and bonding patterns in chemistry. Extensive density functional theory calculations performed in this work predict the mononuclear walnut-like C
Publikováno v:
Nano Research. 14:4719-4724
Boron allotropes are known to be predominately constructed by icosahedral B12 cages, while icosahedral-B12 stuffing proves to effectively improve the stability of fullerene-like boron nanoclusters in the size range between B98–B102. However, the th
Publikováno v:
RSC Advances. 10:10129-10133
Since the discovery of the cage-like borospherenes D2d B40−/0 and the first axially chiral borospherenes C3/C2 B39−, a series of fullerene-like boron clusters in different charge states have been reported in theory. Based on extensive global mini
Publikováno v:
Journal of Cluster Science. 31:1363-1369
The newly discovered cage-like borospherene D2d B40 with two η6-B6 hexagons and four η7-B7 heptagons on the surface may serve as an effective multi-dentate ligand to coordinate transition metals. Based upon extensive density functional theory calcu
Publikováno v:
RSC advances. 11(44)
The highest coordination number identified to date in planar species is CN = 10 in metal-centered monocyclic boron wheel clusters D10h M©B10− (M = Ta and Nb) (Galeev et. al., Angew. Chem. Int. Ed., 2012, 51, 2101). Extensive global minimum searche