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Nanostructured Tungsten Oxysulfide as an Efficient Electrocatalyst for Hydrogen Evolution Reaction
ACS Catalysis ( IF 11.3 ) Pub Date : 2020-06-03 , DOI: 10.1021/acscatal.9b04177 Prasad V. Sarma 1 , Thazhe Veettil Vineesh 1 , Ritesh Kumar 2 , Vishnu Sreepal 1 , Ranjith Prasannachandran 1 , Abhishek K. Singh 2 , Manikoth M. Shaijumon 1
ACS Catalysis ( IF 11.3 ) Pub Date : 2020-06-03 , DOI: 10.1021/acscatal.9b04177 Prasad V. Sarma 1 , Thazhe Veettil Vineesh 1 , Ritesh Kumar 2 , Vishnu Sreepal 1 , Ranjith Prasannachandran 1 , Abhishek K. Singh 2 , Manikoth M. Shaijumon 1
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Transition metal oxysulfides (TMOS) exhibit promising catalytic properties for hydrogen evolution reactions (HER). However, the development of facile and controllable routes for obtaining nanostructured TMOS under ambient conditions still remains a significant challenge. Here we report a simple and controllable route to synthesize nanoparticles of tungsten oxysulfides (WOxSy) that exhibit enhanced electrocatalytic activity toward HER with outstanding stability. The sulfur-rich tungsten oxysulfides with engineered anionic species can offer multiple functionalities, including abundant active sites and improved conductivity that synergistically contribute to enhanced electrocatalytic activity for HER. The optimized WOxSy electrocatalyst shows low overpotential of 103 mV at a current density of 10 mA cm–2, along with a Tafel slope of 54 mV decade–1 and 5.89 × 10–2 mA cm–2 exchange current density. Density functional theory (DFT) based calculations further establish the improved catalytic activity of tungsten oxysulfide (WOxSy), compared to the pristine 1T-WS2, based on the free energy calculations. The present work demonstrates a highly promising approach toward the development of cost-effective, efficient, and durable electrocatalysts to replace precious metals for electrocatalytic hydrogen generation.
中文翻译：
纳米结构的硫氧化钨作为氢气发生反应的高效电催化剂
过渡金属氧硫化物（TMOS）对氢气析出反应（HER）表现出良好的催化性能。然而，开发在环境条件下获得纳米结构化TMOS的简便且可控的途径仍然是一项重大挑战。在这里，我们报告了一种简单且可控制的途径来合成钨硫氧化物（WO x S y）纳米粒子，该粒子表现出对HER的增强的电催化活性并具有出色的稳定性。具有工程化阴离子物质的富硫氧硫化钨可以提供多种功能，包括丰富的活性位点和改善的电导率，共同有助于增强HER的电催化活性。优化的WO x S y电催化剂在10 mA cm –2的电流密度下显示出103 mV的低过电势，以及54 mV October –1和5.89×10 –2 mA cm –2交换电流密度的Tafel斜率。基于自由能计算，与原始1T-WS 2相比，基于密度泛函理论（DFT）的计算进一步确定了氧化硫钨（WO x S y）的催化活性。目前的工作展示了一种非常有前途的方法，可用于开发具有成本效益，高效且耐用的电催化剂，以替代贵金属用于电催化制氢。
更新日期：2020-06-19
中文翻译：
纳米结构的硫氧化钨作为氢气发生反应的高效电催化剂
过渡金属氧硫化物（TMOS）对氢气析出反应（HER）表现出良好的催化性能。然而，开发在环境条件下获得纳米结构化TMOS的简便且可控的途径仍然是一项重大挑战。在这里，我们报告了一种简单且可控制的途径来合成钨硫氧化物（WO x S y）纳米粒子，该粒子表现出对HER的增强的电催化活性并具有出色的稳定性。具有工程化阴离子物质的富硫氧硫化钨可以提供多种功能，包括丰富的活性位点和改善的电导率，共同有助于增强HER的电催化活性。优化的WO x S y电催化剂在10 mA cm –2的电流密度下显示出103 mV的低过电势，以及54 mV October –1和5.89×10 –2 mA cm –2交换电流密度的Tafel斜率。基于自由能计算，与原始1T-WS 2相比，基于密度泛函理论（DFT）的计算进一步确定了氧化硫钨（WO x S y）的催化活性。目前的工作展示了一种非常有前途的方法，可用于开发具有成本效益，高效且耐用的电催化剂，以替代贵金属用于电催化制氢。
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