Robust staggered band alignment in one-dimensional van der Waals heterostructures: binary compound nanoribbons in nanotube

Gong, Ming1; Zhang, Guang-Ping2,3; Hu, Hui Hui1; Kou, Liangzhi4; Dou, Kun Peng1; Shi, Xing-Qiang5

2019-04-07

10.1039/c9tc00766k

Journal of Materials Chemistry C   影响因子和分区

2050-7526

2050-7534

Investigations of van der Waals (vdW) heterostructures based on distinct low-dimensional materials have attracted significant attention for higher performance devices. Here we use density functional theory computations to scrutinize the band alignment in one-dimensional (1D) vdW heterostructures. In particular, using nanoribbons (NRs) encapsulated inside nanotubes (NTs) based on ten binary-compounds of group IV-IV and group III-V elements, we identified both momentum-matched and -mismatched type II heterostructures with gaps varying from 0.56 eV to 4.37 eV. In addition, we demonstrate a substantial reduction (up to near 0.95 eV) in the staggered band gap of BN compounds by both transverse electric field and longitudinal tensile strain. These findings are favorable for enhancing light harvesting through a wide spectrum and reducing the carrier recombination; our designed heterostructures are expected to offer opportunities for photocatalytic water splitting with safe storage of H-2 products inside the NTs.

SCI ; EI

英语

通讯

ARC Discovery Early Career Researcher Award[DE150101854]

Materials Science ; Physics

Materials Science, Multidisciplinary ; Physics, Applied

WOS:000464314700013

ROYAL SOC CHEMISTRY

20191706829303

Electric fields ; Energy gap ; Nanoribbons ; Nanotubes ; Tensile strain ; Van der Waals forces ; Yarn

Electricity: Basic Concepts and Phenomena:701.1 ; Nanotechnology:761 ; Fiber Products:819.4 ; Classical Physics; Quantum Theory; Relativity:931

Web of Science

1.Ocean Univ China, Coll Informat Sci & Engn, Qingdao 266100, Shandong, Peoples R China
2.Shandong Normal Univ, Sch Phys & Elect, Shandong Key Lab Med Phys & Image Proc, Jinan 250358, Shandong, Peoples R China
3.Shandong Normal Univ, Sch Phys & Elect, Shandong Prov Engn & Tech Ctr Light Manipulat, Jinan 250358, Shandong, Peoples R China
4.Queensland Univ Technol, Sch Chem Phys & Mech Engn, Gardens Point Campus, Brisbane, Qld 4001, Australia
5.Southern Univ Sci & Technol, Dept Phys, Shenzhen 518055, Peoples R China

Gong, Ming,Zhang, Guang-Ping,Hu, Hui Hui,et al. Robust staggered band alignment in one-dimensional van der Waals heterostructures: binary compound nanoribbons in nanotube[J]. Journal of Materials Chemistry C,2019,7(13):3829-3836.

Gong, Ming,Zhang, Guang-Ping,Hu, Hui Hui,Kou, Liangzhi,Dou, Kun Peng,&Shi, Xing-Qiang.(2019).Robust staggered band alignment in one-dimensional van der Waals heterostructures: binary compound nanoribbons in nanotube.Journal of Materials Chemistry C,7(13),3829-3836.

Gong, Ming,et al."Robust staggered band alignment in one-dimensional van der Waals heterostructures: binary compound nanoribbons in nanotube".Journal of Materials Chemistry C 7.13(2019):3829-3836.