journal article·2016-04-12

Electron Counting and a Large Family of Two-Dimensional Semiconductors

Mao-sheng Miao, Jorge Botana, Eva Zurek, Tao Hu, Jingyao Liu, Wen Yang

Chemistry of Materials· Volume 28· Issue 7
Publisher page

Abstract

High Resolution Image Download MS PowerPoint Slide In comparison with conventional semiconductors, most two-dimensional semiconductor (2DSC) materials are dissimilar in structure and composition. Herein, we use electron-counting rules to propose a large family of 2DSCs, which all adopt the same structure and are composed of solely main group elements. Advanced density functional theory calculations are used to predict a number of novel 2DSCs, and we show that they span a large range of lattice constants, band gaps, and band edge states. As a result, they are good candidate materials for heterojunctions. This family of two-dimensional materials may be instrumental in the fabrication of 2DSC devices that may rival the currently employed 3D semiconductors.
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Research context

OpenAlex topics: 2D Materials and Applications · MXene and MAX Phase Materials · Electronic and Structural Properties of Oxides

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Affiliations

Department of Chemistry and Biochemistry, California State University Northridge, Northridge, California 91330, United States

Beijing Computational Science Research Center, Beijing 100193, P. R. China

Materials Research Laboratory, University of California, Santa Barbara, California 93106-5050, United States

Department of Chemistry, State University of New York at Buffalo, Buffalo, New York 14260-3000, United States

Institute of Theoretical Chemistry, Jilin University, Changchun 130023, P. R. China

Funding

Ministry of Science and Technology of the People's Republic of China · Division of Graduate Education · National Natural Science Foundation of China · Division of Materials Research

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