A novel two-dimensional MgB6 crystal: metal-layer stabilized boron kagome lattice

被引：45

作者：

Xie, Sheng-Yi ^{[1
]}

Li, Xian-Bin ^{[1
]}

Tian, Wei Quan ^{[1
,2
]}

Chen, Nian-Ke ^{[1
]}

Wang, Yeliang ^{[3
]}

Zhang, Shengbai ^{[4
]}

Sun, Hong-Bo ^{[1
]}

机构：

[1] Jilin Univ, Coll Elect Sci & Engn, State Key Lab Integrated Optoelect, Changchun 130012, Peoples R China

[2] Jilin Univ, Inst Theoret Chem, State Key Lab Theoret & Computat Chem, Changchun 130012, Peoples R China

[3] Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China

[4] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2015年 / 17卷 / 02期

基金：

中国博士后科学基金; 中国国家自然科学基金;

关键词：

GRAPHENE-OXIDE; SUPERCONDUCTIVITY; TEMPERATURE; REDUCTION; NITRIDE;

D O I：

10.1039/c4cp03728f

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Based on first-principles calculations, we designed for the first time a boron-kagome-based two-dimensional MgB6 crystal, in which two boron kagome layers sandwich a triangular magnesium layer. The two-dimensional lattice is metallic with several bands across the Fermi level, and among them a Dirac point appears at the K point of the first Brillouin zone. This metal-stabilized boron kagome system displays electron-phonon coupling, with a superconductivity critical transition temperature of 4.7 K, and thus it is another possible superconducting Mg-B compound besides MgB2. Furthermore, the proposed 2D MgB6 can also be used for hydrogen storage after decoration with Ca. Up to five H-2 molecules can be attracted by one Ca with an average binding energy of 0.225 eV. The unique properties of 2D MgB6 will spur broad interest in nanoscience and technology.

引用

页码：1093 / 1098

页数：6

共 40 条

[31] Ternary rare earth metal boride carbides containing two-dimensional boron-carbon network:: The crystal and electronic structure of R2B4C (R = Tb, Dy, Ho, Er)
Babizhetskyy, Volodymyr
Zheng, Chong
Mattausch, Hansjuergen
Simon, Arndt
JOURNAL OF SOLID STATE CHEMISTRY, 2007, 180 (12) : 3515 - 3520
[32] Hydrothermal synthesis and crystal structure of a novel two-dimensional vanadium oxide complex with a 6,14-net sinusoidal ruffling anionic layer:: [Ni(phen)2V4O11] (phen=1,10-phenanthroline)
Liu, CM
Hou, YL
Zhang, J
Gao, S
INORGANIC CHEMISTRY, 2002, 41 (01) : 140 - +
[33] Two-Dimensional metal-free compounds of BC4N and BC6N2 with boron atoms as highly efficient catalytic centers toward sulfur redox in lithium-sulfur batteries
Liang, Haikuan
Tian, Fei
Zeng, Zhihao
Li, Yan
Wang, Chengxin
APPLIED SURFACE SCIENCE, 2022, 606
[34] Sol-Gel Synthesis of an Efficient Blue CaMgSi2O6:Eu2+ Thin-Film Phosphor with Two-Dimensional Triangular-Lattice SiNx Air-Hole Photonic Crystal
Lee, Keyong Nam
Moon, Jung Ho
Oh, Ji Hye
Do, Young Rag
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2009, 156 (09) : J283 - J287
[35] A novel, wave-like, two-dimensional anionic host with cationic and neutral guests:: Crystal structure of [C6H11NH3][Cu2(CN)3].2C6H5NH2
Yun, SS
Moon, HS
Kim, CH
Lee, SG
JOURNAL OF COORDINATION CHEMISTRY, 2004, 57 (04) : 321 - 327
[36] Synthesis and crystal structure of a novel tartrate copper(II) two-dimensional coordination polymer:: {[Cu2(C4H4O6)2(H2O)2]•4H2O}∞
Jian, FF
Zhao, PS
Wang, QX
JOURNAL OF COORDINATION CHEMISTRY, 2005, 58 (13) : 1133 - 1138
[37] Synthesis and crystal structure of a novel two-dimensional network copper(II) coordination polymer {Cu(μ2-C10H8N2O3)(μ2-C6H12N4)1/2}n
Lu, WG
Liu, HW
Peng, CH
Feng, XL
CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2005, 21 (03) : 409 - 412
[38] A novel two-dimensional organic-inorganic hybrid compound with a (4,6)-lattice-type network:: {[Co(H2O)2][Co2(phen)2(btc)2]}n(btc = benzene-1,2,4-tricarboxylate)
Hao, N
Liu, FC
Wang, EB
Huang, RD
Li, YG
Hu, CW
INORGANIC CHEMISTRY COMMUNICATIONS, 2003, 6 (06) : 728 - 732
[39] Metal salts of benzene-1,2-di(sulfonyl)amine.: 4.: Hydrophobically wrapped two-dimensional polymers:: Crystal structures of the isostructural metal complexes [M{C6H4(SO2)2N}(H2O)] (M = K, Rb) and of the structurally related ammonium salt [(NH4){C6H4(SO2)2N}(H2O)]
Moers, O
Friedrichs, S
Blaschette, A
Jones, PG
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2001, 627 (11): : 2528 - 2536
[40] Synthesis and crystal structure of two cobalt complexes:: [Co2(4,4′-azpy)5(H2O)6][ClO4]4•(H2O)10•(4,4′-azpy)4 with a novel two-dimensional large rectangle organic-inorganic hybrid network and one-dimensional chain complex {[Co(3,3′-azpy)(H2O)4] [ClO4]2•[3,3′-azpy]3}n (4,4′-azpy=4,4′-azobispyridine, 3,3′-azpy=3,3′-azobispyridine)
Li, BL
Liu, HB
Xu, Y
Chen, JT
Wang, HQ
Xu, Z
JOURNAL OF MOLECULAR STRUCTURE, 2001, 597 (1-3) : 21 - 30

← 1 2 3 4 →