Work

Small molecules make big differences: molecular doping effects on electronic and optical properties of phosphorene

Year: 2015

Type: article

Abstract: Systematical computations on the density functional theory were performed to investigate the adsorption of three typical organic molecules, tetracyanoquinodimethane (TCNQ), tetracyanoethylene (TCNE) and tetrathiafulvalene (TTF), on the surface of phosphorene monolayers and thicker layers. There exist considerable charge transfer and strong non-covalent interaction between these molecules and phosphorene. In particular, the band gap of phosphorene decreases dramatically due to the molecular modification and can be further tuned by applying an external electric field. Meanwhile, surface molecular modification has proven to be an effective way to enhance the light harvesting of phosphorene in different directions. Our results predict a flexible method toward modulating the electronic and optical properties of phosphorene and shed light on its experimental applications.

Source: Nanotechnology

DOI: 10.1088/0957-4484/26/9/095201

Authors: Yu Jing, Qing Tang, Peng He, Zhen Zhou, Panwen Shen

Institutions: Nankai University, Collaborative Innovation Center of Chemical Science and Engineering Tianjin

Language: English

Topic: 2D Materials and Applications

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: bronze

Funders: National Natural Science Foundation of China, Ministry of Education, India, Tianjin Science and Technology Committee

Awards: G1833211122, G4305142930, G6028918158, G828659139