Two-Dimensional Honeycomb B2Se with Orthogonal Lattice: High Stability and Strong Anisotropic Dirac Cone

2020 ◽  
Vol 124 (13) ◽  
pp. 7558-7565 ◽  
Author(s):  
Ji-kai Lyu ◽  
Wei-xiao Ji ◽  
Shu-feng Zhang ◽  
Chang-wen Zhang ◽  
Pei-ji Wang
2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Yi Luo ◽  
Chongdan Ren ◽  
Yujing Xu ◽  
Jin Yu ◽  
Sake Wang ◽  
...  

AbstractRecently, a new two-dimensional allotrope of carbon (biphenylene) was experimentally synthesized. Using first-principles calculations, we systematically investigated the structural, mechanical, electronic, and HER properties of biphenylene. A large cohesive energy, absence of imaginary phonon frequencies, and an ultrahigh melting point up to 4500 K demonstrate its high stability. Biphenylene exhibits a maximum Young’s modulus of 259.7 N/m, manifesting its robust mechanical performance. Furthermore, biphenylene was found to be metallic with a n-type Dirac cone, and it exhibited improved HER performance over that of graphene. Our findings suggest that biphenylene is a promising material with potential applications in many important fields, such as chemical catalysis.


2016 ◽  
Vol 128 (35) ◽  
pp. 10448-10451 ◽  
Author(s):  
Yalong Jiao ◽  
Fengxian Ma ◽  
John Bell ◽  
Ante Bilic ◽  
Aijun Du

2021 ◽  
Vol 104 (23) ◽  
Author(s):  
Haibo Yao ◽  
Mingfeng Zhu ◽  
Liwei Jiang ◽  
Yisong Zheng

2018 ◽  
Vol 98 (19) ◽  
Author(s):  
Zhao-Kun Yang ◽  
Jing-Rong Wang ◽  
Guo-Zhu Liu

2019 ◽  
Vol 21 (32) ◽  
pp. 17740-17745 ◽  
Author(s):  
Wei-xi Zhang ◽  
Yong Li ◽  
Hui Jin ◽  
Yan-chao She

Recently, the discovery of two-dimensional transition-metal materials with non-trivial magnetic and electronic properties has spurred huge interest in investigating their applications in nanotechnology.


2020 ◽  
Vol 22 (45) ◽  
pp. 26189-26199
Author(s):  
Huan Lou ◽  
Tong Yu ◽  
Jiani Ma ◽  
Shoutao Zhang ◽  
Aitor Bergara ◽  
...  

Two-dimensional Mo2C materials (1T and 2H phases) have emerged as promising electrocatalysts for the hydrogen evolution reaction (HER) due to their low cost, inherent metallicity, and high stability.


2020 ◽  
Vol 22 (12) ◽  
pp. 6619-6625 ◽  
Author(s):  
Xuming Qin ◽  
Yi Liu ◽  
Gui Yang ◽  
Dongqiu Zhao

The origin of Dirac cone band structure of 6,6,12-graphyne is revealed by a “mirror symmetry parity coupling” mechanism proposed with tight-binding method combined with density functional calculations.


2018 ◽  
Vol 6 (25) ◽  
pp. 11890-11897 ◽  
Author(s):  
Songsong Sun ◽  
Fanchen Meng ◽  
Hongyan Wang ◽  
Hui Wang ◽  
Yuxiang Ni

A novel semiconducting 2D material based on monolayer and bilayer SnP3 is proposed using first-principles calculations.


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