A promising ZnO/Graphene van der Waals heterojunction as solar cell devices: A first-principles study

The electronic structure of two-dimensional (2D) materials in van der Waals heterojunctions also appears extensive theoretical research, we use DFT-D2 theory to calculate the energy band, density of states, formation energy, work function, charge density difference, optical properties, and our theor...

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Bibliographic Details
Main Authors: Aina Gong, Yue Feng, Chi Liu, Jiaojiao Chen, Zhenjia Wang, Tao Shen
Format: Article
Language:English
Published: Elsevier 2022-11-01
Series:Energy Reports
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S2352484721014554