TY - JOUR
T1 - Atomic ruthenium modification of nickel-cobalt alloy for enhanced alkaline hydrogen evolution
AU - Li, Liuqing
AU - Qiu, Haifa
AU - Zhu, Yanping
AU - Chen, Gao
AU - She, Sixuan
AU - Guo, Xuyun
AU - Li, Hao
AU - Liu, Tiancheng
AU - Lin, Zezhou
AU - Zhou, Hanmo
AU - Zhu, Ye
AU - Yang, Ming
AU - Xu, Baomin
AU - Huang, Haitao
N1 - Funding Information:
This work was supported by the Research Grants Council of the Hong Kong Special Administrative Region , China ( PDFS2223-5S03 and PDFS2122-5S02 ) and the Hong Kong Polytechnic University ( 1-YY4A , 1-YWB6 , and 1-ZE2F ). B. Xu acknowledges the financial support from the Shenzhen Science and Technology Innovation Committee (Grant No. JCYJ20200109141014474 ).
Funding Information:
This work was supported by the Research Grants Council of the Hong Kong Special Administrative Region, China (PDFS2223-5S03 and PDFS2122-5S02) and the Hong Kong Polytechnic University (1-YY4A, 1-YWB6, and 1-ZE2F). B. Xu acknowledges the financial support from the Shenzhen Science and Technology Innovation Committee (Grant No. JCYJ20200109141014474).
Publisher Copyright:
© 2023 Elsevier B.V.
PY - 2023/8/15
Y1 - 2023/8/15
N2 - Density functional theory (DFT) is used to predict the behavior of ruthenium-doped nickel cobalt alloy in the alkaline hydrogen evolution reaction (HER). According to DFT calculation, a synergistic effect at the Ru-Ni/Co interface is generated to accelerate water dissociation and optimize the adsorption-desorption energetics toward the H intermediate. However, excessive Ru introduction will lead to over-strong hydrogen adsorption on the catalyst surface, thus limiting H2 release. As a proof of concept, we design a series of NiCoRux/SP, among which the optimized NiCoRu0.2/SP electrocatalyst achieves an overpotential of 59 mV at 10 mA cm−2, while excessive Ru incorporation (NiCoRu0.3/SP) diminishes the HER activity. X-ray absorption spectroscopy and other characterizations further confirm that the interface-induced electron transfer from atomic Ru to its surrounding Ni/Co, and the activity degradation caused by excessive Ru incorporation is attributed to the generation of Ru cluster that sacrifices the interface between Ru atom and Ni/Co.
AB - Density functional theory (DFT) is used to predict the behavior of ruthenium-doped nickel cobalt alloy in the alkaline hydrogen evolution reaction (HER). According to DFT calculation, a synergistic effect at the Ru-Ni/Co interface is generated to accelerate water dissociation and optimize the adsorption-desorption energetics toward the H intermediate. However, excessive Ru introduction will lead to over-strong hydrogen adsorption on the catalyst surface, thus limiting H2 release. As a proof of concept, we design a series of NiCoRux/SP, among which the optimized NiCoRu0.2/SP electrocatalyst achieves an overpotential of 59 mV at 10 mA cm−2, while excessive Ru incorporation (NiCoRu0.3/SP) diminishes the HER activity. X-ray absorption spectroscopy and other characterizations further confirm that the interface-induced electron transfer from atomic Ru to its surrounding Ni/Co, and the activity degradation caused by excessive Ru incorporation is attributed to the generation of Ru cluster that sacrifices the interface between Ru atom and Ni/Co.
KW - Density functional theory
KW - Hydrogen evolution reaction
KW - Ru-decorated catalyst
KW - Synergistic effects
KW - Water splitting
UR - https://www.scopus.com/pages/publications/85151565178
U2 - 10.1016/j.apcatb.2023.122710
DO - 10.1016/j.apcatb.2023.122710
M3 - Journal article
AN - SCOPUS:85151565178
SN - 0926-3373
VL - 331
JO - Applied Catalysis B: Environmental
JF - Applied Catalysis B: Environmental
M1 - 122710
ER -
