Proposal of a stable B3S nanosheet as an efficient hydrogen evolution catalyst

• Published in: Journal of materials chemistry. A, Materials for energy and sustainability Vol. 7; no. 8; pp. 3752 - 3756
• Main Authors: Wu, Hong, Li, Xingxing, Zhang, Ruiqi, Yang, Jinlong
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 01.01.2019
• Subjects: Active sites; adsorption; Boron; Catalysis; Catalysts; Dynamic stability; Electric bridges; Electrical conductivity; Electrical resistivity; Electron states; First principles; Free energy; Gibbs free energy; Hydrogen; Hydrogen evolution reactions; hydrogen production; Molecular dynamics; Nanosheets; Noble metals; Sulfides

Exploring noble metal-free catalysts that have high stability, good electrical conductivity and intrinsic catalytic sites with activity comparable to Pt is very desirable for the hydrogen evolution reaction (HER). Using a global minimum structure search combined with first-principles calculations, w...