中北大学学报（自然科学版）2026，Vol.47Issue(3)：315-328,14.DOI:10.62756/jnuc.issn.1673-3193.2025.11.0028
钴/铬共掺杂协同增强NiS的尿素电氧化性能
Co/Cr Co-Doping Synergistically Enhances the Urea Electrooxidation Performance of NiS
摘要
Abstract
During the process of hydrogen production from water-splitting assisted by the urea oxidation reaction(UOR),developing a high-performance nickel-based catalyst for UOR is a key challenge that must be addressed urgently to enhance hydrogen production efficiency.In this work,the Co/Cr co-doped nickel sulfide composite(Co,Cr-NiS/CC)was prepared on carbon cloth(CC)by the hydrothermal-calcination method.The composition,morphology,structure,and surface chemical state of the composite were characterized by X-ray diffraction(XRD),scanning electron microscopy(SEM),transmission elec-tron microscopy(TEM),and X-ray photoelectron spectroscopy(XPS).The electrochemical perfor-mance of the composite was tested in the electrolyte of 1.00 mol·L-1 KOH and 0.33 mol·L-1 urea.Meanwhile,density functional theory(DFT)calculations were conducted on the NiS(001)and Co,Cr-NiS(001)models.The structure-activity relationship was revealed through the analysis of the density of states(DOS),the d-band center,and the energy barrier of the rate-determining step(RDS)for the UOR.Electrochemical tests demonstrate that the Co,Cr-NiS/CC composite exhibits excellent catalytic activity for UOR.Specifically,at the current densities of 100 A·m-2 and 1 000 A·m-2,the required potentials are 1.321 V and 1.378 V,respectively,which are lower than those of the other control samples.At a potential of 1.527 V,after 200 h of chronoamperometry(CA)testing,the retention rate of current density is 64.83%.DFT calculations indicate that the co-doping of Co and Cr enhances the intensity of the DOS at the Fermi energy(EF)of the composite,shifts the d-band center of the composite upwards,reduces the energy barrier of the RDS of UOR to 0.331 eV,and optimizes the electronic struc-ture of NiS and the adsorption energy of reaction intermediates.This work proposes a new approach to constructing an efficient non-metallic UOR catalyst.关键词
Co,Cr-NiS/CC/共掺杂/尿素氧化反应/碱性电解质/密度泛函理论Key words
Co,Cr-NiS/CC/co-doping/urea oxidation reaction/alkaline electrolyte/density functional theory分类
化学化工引用本文复制引用
贾卓榕,张雨娟,胡拖平..钴/铬共掺杂协同增强NiS的尿素电氧化性能[J].中北大学学报（自然科学版）,2026,47(3):315-328,14.基金项目
山西省重点实验室项目(202404010931028) （202404010931028）
山西省科技合作与交流专项(202204041101028、202304041101025) （202204041101028、202304041101025）
中央引导地方科技发展专项资金项目(YDZJSX2024D036) （YDZJSX2024D036）
山西省科技创新人才团队专项(202304051001003) （202304051001003）
