Issue 30, 2021
From the journal:

Physical Chemistry Chemical Physics

Computational investigation of two-dimensional borides with planar octacoordinated main group elements†

Jiashu Yang,‡ab   Linke Yu‡a  and  Fengyu Li ORCID logo *a  

* Corresponding authors

a School of Physical Science and Technology, Inner Mongolia University, Hohhot, China
E-mail: fengyuli@imu.edu.cn

b Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, School of Physics, Dalian 116024, China

Abstract

In this communication, by means of first principles calculations, we searched stable two-dimensional borides with octacoordinated main group elements, and we found that only AlB4 monolayer is stable in the planar octacoordinate motif through our stability screenings, which can be used for electrocatalyzing the hydrogen evolution reaction.

Graphical abstract: Computational investigation of two-dimensional borides with planar octacoordinated main group elements

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Article information

DOI
https://doi.org/10.1039/D1CP02505H
Article type
Communication
Submitted
04 Jun 2021
Accepted
06 Jul 2021
First published
06 Jul 2021

Phys. Chem. Chem. Phys., 2021,23, 15904-15907

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Computational investigation of two-dimensional borides with planar octacoordinated main group elements

J. Yang, L. Yu and F. Li, Phys. Chem. Chem. Phys., 2021, 23, 15904 DOI: 10.1039/D1CP02505H

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