Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen evolution

Yuyang Qi; Long Zhang; Lan Sun; Guanjun Chen; Qiaomei Luo; Hongqiang Xin; Jiahui Peng; Yan Li; Fei Ma

doi:10.1039/c9nr08583a

Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen evolution

Yuyang Qi
, Long Zhang
, Lan Sun
, Guanjun Chen
, Qiaomei Luo
, Hongqiang Xin
, Jiahui Peng
, Yan Li
, Fei Ma

School of Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

67 Scopus citations

Abstract

Electrocatalysts with high catalytic activity, high stability and low cost are critical to the hydrogen evolution reaction (HER). In this paper, sulfur(S)-doped NiCoP nanowire arrays on a carbon fiber paper skeleton (S-NiCoP NW/CFP) are prepared, and it is demonstrated that the electrocatalytic properties of NiCoP in alkaline solution could be well improved by sulfur doping. In 1.0 M KOH, only an overpotential of 172 mV (vs. RHE) at 100 mA cm^-2 is required for S doped NiCoP nanowires on CFP, and the turnover frequency (TOF) is 1.71 times that of NiCoP at an overpotential of 100 mV, indicating its superior intrinsic activity. Density functional theory (DFT) calculations show that S doping could lower the center of the d-band, and thus weaken the interaction between NiCoP and the intermediates. This leads to an optimized hydrogen adsorption Gibbs free energy (ΔG_H∗) and faster desorption of OH∗. This study offers a promising way to design and optimize electrocatalysts for the HER in alkaline solution.

Original language	English
Pages (from-to)	1985-1993
Number of pages	9
Journal	Nanoscale
Volume	12
Issue number	3
DOIs	https://doi.org/10.1039/c9nr08583a
State	Published - 21 Jan 2020

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title = "Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen evolution",

abstract = "Electrocatalysts with high catalytic activity, high stability and low cost are critical to the hydrogen evolution reaction (HER). In this paper, sulfur(S)-doped NiCoP nanowire arrays on a carbon fiber paper skeleton (S-NiCoP NW/CFP) are prepared, and it is demonstrated that the electrocatalytic properties of NiCoP in alkaline solution could be well improved by sulfur doping. In 1.0 M KOH, only an overpotential of 172 mV (vs. RHE) at 100 mA cm-2 is required for S doped NiCoP nanowires on CFP, and the turnover frequency (TOF) is 1.71 times that of NiCoP at an overpotential of 100 mV, indicating its superior intrinsic activity. Density functional theory (DFT) calculations show that S doping could lower the center of the d-band, and thus weaken the interaction between NiCoP and the intermediates. This leads to an optimized hydrogen adsorption Gibbs free energy (ΔGH∗) and faster desorption of OH∗. This study offers a promising way to design and optimize electrocatalysts for the HER in alkaline solution.",

author = "Yuyang Qi and Long Zhang and Lan Sun and Guanjun Chen and Qiaomei Luo and Hongqiang Xin and Jiahui Peng and Yan Li and Fei Ma",

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T1 - Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen evolution

AU - Qi, Yuyang

AU - Zhang, Long

AU - Sun, Lan

AU - Chen, Guanjun

AU - Luo, Qiaomei

AU - Xin, Hongqiang

AU - Peng, Jiahui

AU - Li, Yan

AU - Ma, Fei

PY - 2020/1/21

Y1 - 2020/1/21

N2 - Electrocatalysts with high catalytic activity, high stability and low cost are critical to the hydrogen evolution reaction (HER). In this paper, sulfur(S)-doped NiCoP nanowire arrays on a carbon fiber paper skeleton (S-NiCoP NW/CFP) are prepared, and it is demonstrated that the electrocatalytic properties of NiCoP in alkaline solution could be well improved by sulfur doping. In 1.0 M KOH, only an overpotential of 172 mV (vs. RHE) at 100 mA cm-2 is required for S doped NiCoP nanowires on CFP, and the turnover frequency (TOF) is 1.71 times that of NiCoP at an overpotential of 100 mV, indicating its superior intrinsic activity. Density functional theory (DFT) calculations show that S doping could lower the center of the d-band, and thus weaken the interaction between NiCoP and the intermediates. This leads to an optimized hydrogen adsorption Gibbs free energy (ΔGH∗) and faster desorption of OH∗. This study offers a promising way to design and optimize electrocatalysts for the HER in alkaline solution.

AB - Electrocatalysts with high catalytic activity, high stability and low cost are critical to the hydrogen evolution reaction (HER). In this paper, sulfur(S)-doped NiCoP nanowire arrays on a carbon fiber paper skeleton (S-NiCoP NW/CFP) are prepared, and it is demonstrated that the electrocatalytic properties of NiCoP in alkaline solution could be well improved by sulfur doping. In 1.0 M KOH, only an overpotential of 172 mV (vs. RHE) at 100 mA cm-2 is required for S doped NiCoP nanowires on CFP, and the turnover frequency (TOF) is 1.71 times that of NiCoP at an overpotential of 100 mV, indicating its superior intrinsic activity. Density functional theory (DFT) calculations show that S doping could lower the center of the d-band, and thus weaken the interaction between NiCoP and the intermediates. This leads to an optimized hydrogen adsorption Gibbs free energy (ΔGH∗) and faster desorption of OH∗. This study offers a promising way to design and optimize electrocatalysts for the HER in alkaline solution.

UR - https://www.scopus.com/pages/publications/85078377708

U2 - 10.1039/c9nr08583a

DO - 10.1039/c9nr08583a

M3 - 文章

C2 - 31912073

AN - SCOPUS:85078377708

SN - 2040-3364

VL - 12

SP - 1985

EP - 1993

JO - Nanoscale

JF - Nanoscale

IS - 3

ER -

Sulfur doping enhanced desorption of intermediates on NiCoP for efficient alkaline hydrogen evolution

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