CoP修饰Ti_(3)C_(2)T_(x)MXene纳米复合材料作为高效析氢反应电催化剂  

CoP Decorated on Ti_(3)C_(2)T_(x)MXene Nanocomposites as Robust Electrocatalyst for Hydrogen Evolution Reaction

作　　者：孙巍 王永靖 项坤 白赛帅 王海涛 邹菁[1] Arramel 江吉周[1] Wei Sun;Yongjing Wang;Kun Xiang;Saishuai Bai;Haitao Wang;Jing Zou;Arramel;Jizhou Jiang(School of Environmental Ecology and Biological Engineering,School of Chemistry and Environmental Engineering,Key Laboratory of Green Chemical Engineering Process of Ministry of Education,Engineering Research Center of Phosphorus Resources Development and Utilization of Ministry of Education,Novel Catalytic Materials of Hubei Engineering Research Center,Wuhan Institute of Technology,Wuhan 430205,China;Key Laboratory of Optoelectronic Chemical Materials and Devices of Ministry of Education,Jianghan University,Wuhan 430205,China;Nano Center Indonesia,Jalan Raya PUSPIPTEK,South Tangerang,Banten 15314,Indonesia)

机构地区：[1]武汉工程大学,环境生态与物工程学院,化环境生态与物工程学院,化绿色化工过程教育部重点实验室,磷资源开发利用绿色化工过程教育部重点实验室,磷资源开发利用育部工程研究中心,新型催化材料湖北省武汉430205 [2]光电化学材料与器件教育部重点实验室(江汉大学),武汉430205 [3]Nano Center Indonesia,Jalan Raya PUSPIPTEK,South Tangerang,Banten 15314,Indonesia

出　　处：《物理化学学报》2024年第8期36-39,共4页Acta Physico-Chimica Sinica

基　　金：国家自然科学基金(62004143,22174033);湖北省重点研发计划(2022BAA084);光电化学材料与器件教育部重点实验室(江汉大学)开放基金(JDGD-202227);武汉市知识创新专项项目-曙光计划(2022010801020355)资助。

摘　　要：高效、经济和环保是电化学水分解制氢电催化剂的关键要素。二维(2D)MXene材料因其独特的物理化学性质而受到广泛关注。虽然有许多不同种类的MXene材料,但只有少数具有本征析氢反应(HER)催化活性。然而,MXene材料具有很多优点,如较大的比表面积、高电导率和丰富的表面官能团,因此可以作为与其他物质复合的理想平台。本研究首先通过密度泛函理论(DFT)预测了CoP与Ti_(3)C_(2)T_(x)MXene(其中T_(x)=―F和―OH官能团)具有低的氢吸附自由能(ΔGH^(*))。接着,我们合成了CoP-Ti_(3)C_(2)T_(x)MXene纳米复合材料,并在0.5 mol∙L^(−1)H_(2)SO_(4)中测试了其电催化HER性能。该材料在电流密度为10 mA∙cm^(−2)时表现出了低的过电位(135 mV)和Tafel斜率为48 mV∙dec^(−1)。理论计算表明,CoP-Ti_(3)C_(2)T_(x)MXene纳米复合材料的优异电催化性能源于Ti_(3)C_(2)T_(x)的高金属导电性、良好的界面电荷转移、快速的氢吸附/解吸过程以及优化的电子结构。Electrocatalysts play a pivotal role in the electrochemical water splitting process to produce hydrogen fuel.The advancement of this technology relies on the development of efficient,cost-effective,and readily available electrocatalysts.Two-dimensional(2D)MXene materials have garnered significant attention due to their unique physicochemical properties,rendering them promising candidates for electrocatalytic applications.While there are numerous types of MXene materials available,only a few possess intrinsic hydrogen evolution reaction(HER)catalytic activity.However,MXene materials can serve as excellent platforms for enhancing catalytic HER activity by combining them with other substances,owing to their large specific surface area,high conductivity,and abundant surface functional groups.In this study,we initially conducted a predictive analysis using density functional theory(DFT)to assess the potential of combining CoP with Ti_(3)C_(2)T_(x)MXene materials(where T_(x)represents―F and―OH functional groups)in reducing the adsorption free energy of hydrogen(ΔGH^(*)).The results indicated that the CoP-Ti_(3)C_(2)T_(x)nanocomposites exhibited aΔGH^(*)value approaching 0,suggesting promising HER performance.Following this theoretical prediction,we synthesized the CoP-Ti_(3)C_(2)T_(x)MXene nanocomposites.Comprehensive characterization of the synthesized nanocomposites was performed using various techniques,including scanning electron microscopy(SEM),transmission electron microscopy(TEM),X-ray diffraction(XRD),and X-ray photoelectron spectroscopy(XPS).These analyses confirmed the successful decoration of CoP on the MXene nanosheets and provided insights into the structural and compositional properties of the nanocomposites.Furthermore,we evaluated the electrochemical performance of the CoP-Ti_(3)C_(2)T_(x)nanocomposites through linear sweep voltammetry and chronoamperometry measurements.The results demonstrated superior catalytic activity and stability for the HER compared to pure Ti_(3)C_(2)T_(x)and CoP catalysts

关 键 词：Ti_(3)C_(2)T_(x)MXene 析氢反应 COP 密度泛函理论 界面电荷转移 

分 类 号：O646[理学—物理化学]