Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

19 Scopus Citations
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Author(s)

  • Jie Sun
  • Suchun Li
  • Cunping Huang
  • Qiang Wu
  • Wei Chen
  • Qunjie Xu
  • Weifeng Yao

Detail(s)

Original languageEnglish
Article number102728
Journal / PublicationiScience
Volume24
Issue number7
Online published15 Jun 2021
Publication statusPublished - 23 Jun 2021

Link(s)

Abstract

Calcium is one of the most abundant and cheapest elements on earth. However, due to the lack of d-orbitals for chemical adsorption, it is generally considered as a stoichiometric reagent with no catalytic activities in heterogeneous catalysis. In this research, we have revealed that atomically confined Ca in nitrogen-doped graphene (Ca1-NG) can be an effective heterogeneous catalyst to boost both electrocatalytic and photocatalytic hydrogen evolution reactions (HER). Ca single atoms anchored in NG can efficiently enhance the HER performance due to the improvement of the interfacial charge transfer rate and suppression of the photo-generated charge recombination. Density functional theory calculations show that the high catalytic activity of Ca1-NG results from the Ca single atoms in NG, which leads to multiple H adsorption configurations with favorable ΔGH∗ values for HER. This research can be valuable for the designing of environmentally friendly, economical and efficient catalysts for renewable hydrogen production.

Research Area(s)

  • catalysis, chemical engineering, electrochemistry

Citation Format(s)

Atomically confined calcium in nitrogen-doped graphene as an efficient heterogeneous catalyst for hydrogen evolution. / Sun, Jie; Li, Suchun; Zhao, Qi et al.
In: iScience, Vol. 24, No. 7, 102728, 23.06.2021.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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