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Water Splitting: Computational Screening of 2D Materials and Rational Design of Heterojunctions for Water Splitting Photocatalysts (Small Methods 5/2018)
Author(s) -
Zhang Xu,
Zhang Zihe,
Wu Dihua,
Zhang Xin,
Zhao Xudong,
Zhou Zhen
Publication year - 2018
Publication title -
small methods
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 4.66
H-Index - 46
ISSN - 2366-9608
DOI - 10.1002/smtd.201870031
Subject(s) - heterojunction , water splitting , photocatalysis , rational design , materials science , monolayer , throughput , photocatalytic water splitting , nanotechnology , computer science , optoelectronics , chemistry , catalysis , wireless , telecommunications , organic chemistry
A high‐throughput computational materials‐design framework is proposed by Zhen Zhou and co‐workers in article number 1700359 to search for layered photocatalysts for water splitting from the Materials Project database. From layered compounds to 2D monolayers and then to heterojunctions, the quantum efficiency and photocatalytic performance can be gradually enhanced.