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First-Principles Investigation of β-FeOOH for Hydrogen Evolution: Identifying Reactive Sites and Boosting Surface

Zhenxiong Huang1, Xiangjiu Guan1, Mingtao Li1

  • 1State Key Laboratory of Multiphase Flow in Power Engineering (MFPE), Xi'an Jiaotong University (XJTU), 28 West Xianning Road, Xi'an, Shaanxi, 710049, P.R. China.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|March 18, 2020
PubMed

Keywords:
density functional calculationsheterogeneous catalysishydrogen evolution reactioniron oxyhydroxidesphotochemistryHydrogen evolution reactionβ-FeOOH catalysisFirst-principles calculationsSurface reactivityWater splitting

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