Monatomic Ti doped on defective monolayer boron nitride as an electrocatalyst for the synthesis of ammonia: A DFT study

Title
Monatomic Ti doped on defective monolayer boron nitride as an electrocatalyst for the synthesis of ammonia: A DFT study
Authors
Keywords
Density functional theory (DFT), Two-dimensional (2D) material, Deficiency, Nitrogen reduction reaction (NRR), Transition metal
Journal
APPLIED SURFACE SCIENCE
Volume 563, Issue -, Pages 150277
Publisher
Elsevier BV
Online
2021-06-03
DOI
10.1016/j.apsusc.2021.150277

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