Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts

Chen, Wenzhou1; Kawazoe, Yoshiyuki2,3; Shi, Xingqiang4; Pan, Hui1

2018-07-21

10.1039/c8cp02470g

PHYSICAL CHEMISTRY CHEMICAL PHYSICS   影响因子和分区

1463-9076

1463-9084

Two dimensional (2D) materials with hexagonal building blocks have received tremendous interest in recent years and show promise as nanoscale devices for versatile applications. Herein, we propose a new family of 2D pentagonal CrX (X = S, Se or Te) monolayers (penta-CrX) for applications in electronics, spintronics and photocatalysis. We find that the 2D penta-CrX monolayers are thermally, structurally and mechanically stable. The penta-CrX monolayers are antiferromagnetic and semiconducting. We show that the magnetism is attributed to the super-exchange induced by the ionic interactions between the Cr and X atoms and can be enhanced upon applying tension. We further show that the penta-CrS and penta-CrSe monolayers show good redox potentials versus a normal hydrogen electrode, and their band gaps are comparable to the energy of a photon in the visible light region, indicating their capability of maximal utilization of solar energy for water splitting. With intrinsic semiconducting and controllable magnetic properties, the proposed penta-CrX monolayers may hold promise as flexible spintronics and photocatalysts.

SCI ; EI

英语

通讯

ONRG[N62909-16-1-2036]

Chemistry ; Physics

Chemistry, Physical ; Physics, Atomic, Molecular & Chemical

WOS:000441089800022

ROYAL SOC CHEMISTRY

CHEMISTRY

Web of Science

1.Univ Macau, Inst Appl Phys & Mat Engn, Macau, Peoples R China
2.Tohoku Univ, New Ind Creat Hatchery Ctr, Sendai, Miyagi, Japan
3.SRM Inst Sci & Technol, Dept Phys & Nanotechnol, Kattankulathur 603203, Tamil Nadu, India
4.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China

Chen, Wenzhou,Kawazoe, Yoshiyuki,Shi, Xingqiang,et al. Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2018,20(27):18348-18354.

Chen, Wenzhou,Kawazoe, Yoshiyuki,Shi, Xingqiang,&Pan, Hui.(2018).Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,20(27),18348-18354.

Chen, Wenzhou,et al."Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 20.27(2018):18348-18354.