Grain Boundaries Induced a Class of Carbon Allotropes with Dirac Fermions

Kong, Weixiang1,2; Xiao, Xiaoliang1,2; Qin, Zheng1,2; Zhan, Fangyang1,2; Wang, Rui1,2,3; Gan, Li-Yong1,2,3; Wei, Juan1,2; Fan, Jing4; Wu, Xiaozhi1,2,3

2022-08-04

10.1021/acs.jpcc.2c04241

Journal of Physical Chemistry C   Impact Factor & Quartile

1932-7447

1932-7455

The incorporation of a nonbenzenoid network into graphene grain boundary is an effectual approach for mechanical properties, thermal transport, and band engineering. Here, we propose that different kinds of Dirac semimetals can be induced by grain boundaries (GBs) in graphene. Our results show that the electronic properties can be periodically oscillated between metal and semimetal, and even from type-II nodal point semimetal (NPS) to type-I NPS, all determined only by the spacing of the GBs. Additionally, the topological properties are confirmed by nonzero Berry curvature and topologically protected surface state. Our findings offer an attractive approach for designing carbon-based topological devices.

SCI ; EI

English

Others

Natural Science Foundation of China[12147102] ; Chongqing Natural Science Foundation[cstc2020jcyj-msxmX0118]

Chemistry ; Science & Technology - Other Topics ; Materials Science

Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary

WOS:000838055100001

AMER CHEMICAL SOC

20223312568452

Electronic properties ; Graphene ; Thermal Engineering ; Topology

Nanotechnology:761 ; Chemical Products Generally:804 ; Combinatorial Mathematics, Includes Graph Theory, Set Theory:921.4

Web of Science

1.Chongqing Univ, Inst Struct & Funct, Chongqing 401331, Peoples R China
2.Chongqing Univ, Dept Phys, Chongqing 401331, Peoples R China
3.Chongqing Key Lab Strongly Coupled Phys, Chongqing 401331, Peoples R China
4.Southern Univ Sci & Technol, Ctr Computat Sci & Engn, Shenzhen 518055, Peoples R China

Kong, Weixiang,Xiao, Xiaoliang,Qin, Zheng,et al. Grain Boundaries Induced a Class of Carbon Allotropes with Dirac Fermions[J]. Journal of Physical Chemistry C,2022,126(30):12972-12976.

Kong, Weixiang.,Xiao, Xiaoliang.,Qin, Zheng.,Zhan, Fangyang.,Wang, Rui.,...&Wu, Xiaozhi.(2022).Grain Boundaries Induced a Class of Carbon Allotropes with Dirac Fermions.Journal of Physical Chemistry C,126(30),12972-12976.

Kong, Weixiang,et al."Grain Boundaries Induced a Class of Carbon Allotropes with Dirac Fermions".Journal of Physical Chemistry C 126.30(2022):12972-12976.