Theoretical Investigations on the Design of Hydrogen Evolution Nanocatalyst Based on Non-Noble Metal and the Correlative Catalysis Mechanism
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- 英文论文题名：Theoretical Investigations on the Design of Hydrogen Evolution Nanocatalyst Based on Non-Noble Metal and the Correlative Catalysis Mechanism
- 论文作者：Wei Chen ; Guangtao Yu ; Xuri Huang
- 英文论文作者：Wei Chen ; Guangtao Yu ; Xuri Huang ; Institute of Theoretical Chemistry ; International Joint Research Laboratory of Nano-Micro Architecture Chemistry ; Jilin University
- 年：2016
- 作者机构：Institute of Theoretical Chemistry,International Joint Research Laboratory of Nano-Micro Architecture Chemistry,Jilin University;
- 英文论文关键词：Low-dimensional nanomaterial ; Hydrogen evolution reaction ; Non-noble nanocatalyst ; First-principles computation
- 会议召开时间：2016-07-01
- 会议录名称：中国化学会第30届学术年会摘要集-第四十分会：纳米体系理论与模拟
- 语种：英文
- 分类号：O643.36;TB383.1
- 学会代码：ZGHY
- 会议名称：中国化学会第30届学术年会-第四十分会 ; 纳米体系理论与模拟
- 会议地点：中国辽宁大连
- 主办单位：中国化学会
- 学会名称：中国化学会
- 页数：1
- 文件大小：87k
- 原文格式：D
- 会议级别：全国
摘要
Currently, the world is facing a very serious energy and environmental crisis. Exploiting new alternative energy sources(e.g. hydrogen energy) has become an urgent problem. Water electrolysis is one promising pathway for sustainable hydrogen production, where developing highly efficient and economical catalyst can be vital. In the past few years, considerable attention has been focused on the non-noble metal electrocatalysts, such as, metal sulfides, metal selenides, metal carbides, metal nitrides, metal phosphides. Among them, some transition-metal compounds in nanoscale can exhibit an intrinsically highly catalytic activity for hydrogen evolution reaction(HER), and may be considered as the candidate for powerful HER catalyst. Although some progress in experiment has been made, the correlative theoretical effort is rather scarce, which severely hinders the development of non-noble-metal based HER nanocatalyst, due to the insufficiency in understanding the intrinsic catalytic mechanism. To address this problem, we have recently performed series of theoretical studies on the earth-rich transition-metal(e.g. Ni and Mo[1-2]) compounds to explore the structural profile at the atomic level, elucidate the catalytic mechanism and understand the HER reaction process by means of the first-principles computation. Additionally, we have also proposed some effective strategies to further improve the HER catalytic activity of these non-noble nanosystems. All these investigations can provide the new idea and reliable theoretical information for experimentally synthesizing the inexpensive and highly efficient HER nanocatalyst, which can be advantageous for achieving a cost reduction by avoiding the unnecessary experimental consumption from traditional trial-and-error process for optimization, and promoting the development of hydrogen energy.
Currently, the world is facing a very serious energy and environmental crisis. Exploiting new alternative energy sources(e.g. hydrogen energy) has become an urgent problem. Water electrolysis is one promising pathway for sustainable hydrogen production, where developing highly efficient and economical catalyst can be vital. In the past few years, considerable attention has been focused on the non-noble metal electrocatalysts, such as, metal sulfides, metal selenides, metal carbides, metal nitrides, metal phosphides. Among them, some transition-metal compounds in nanoscale can exhibit an intrinsically highly catalytic activity for hydrogen evolution reaction(HER), and may be considered as the candidate for powerful HER catalyst. Although some progress in experiment has been made, the correlative theoretical effort is rather scarce, which severely hinders the development of non-noble-metal based HER nanocatalyst, due to the insufficiency in understanding the intrinsic catalytic mechanism. To address this problem, we have recently performed series of theoretical studies on the earth-rich transition-metal(e.g. Ni and Mo[1-2]) compounds to explore the structural profile at the atomic level, elucidate the catalytic mechanism and understand the HER reaction process by means of the first-principles computation. Additionally, we have also proposed some effective strategies to further improve the HER catalytic activity of these non-noble nanosystems. All these investigations can provide the new idea and reliable theoretical information for experimentally synthesizing the inexpensive and highly efficient HER nanocatalyst, which can be advantageous for achieving a cost reduction by avoiding the unnecessary experimental consumption from traditional trial-and-error process for optimization, and promoting the development of hydrogen energy.
Currently, the world is facing a very serious energy and environmental crisis. Exploiting new alternative energy sources(e.g. hydrogen energy) has become an urgent problem. Water electrolysis is one promising pathway for sustainable hydrogen production, where developing highly efficient and economical catalyst can be vital. In the past few years, considerable attention has been focused on the non-noble metal electrocatalysts, such as, metal sulfides, metal selenides, metal carbides, metal nitrides, metal phosphides. Among them, some transition-metal compounds in nanoscale can exhibit an intrinsically highly catalytic activity for hydrogen evolution reaction(HER), and may be considered as the candidate for powerful HER catalyst. Although some progress in experiment has been made, the correlative theoretical effort is rather scarce, which severely hinders the development of non-noble-metal based HER nanocatalyst, due to the insufficiency in understanding the intrinsic catalytic mechanism. To address this problem, we have recently performed series of theoretical studies on the earth-rich transition-metal(e.g. Ni and Mo[1-2]) compounds to explore the structural profile at the atomic level, elucidate the catalytic mechanism and understand the HER reaction process by means of the first-principles computation. Additionally, we have also proposed some effective strategies to further improve the HER catalytic activity of these non-noble nanosystems. All these investigations can provide the new idea and reliable theoretical information for experimentally synthesizing the inexpensive and highly efficient HER nanocatalyst, which can be advantageous for achieving a cost reduction by avoiding the unnecessary experimental consumption from traditional trial-and-error process for optimization, and promoting the development of hydrogen energy.
引文
[1]Feng,LL;Yu,GT;Wu,YY;Li,GD;Li,H;Sun,YH;Asefa,T;Chen,W;Zou,XX J.Am.Chem.Soc.,2015,137:14023.
[2]Liu,YP;Yu,GT;Li,GD;Sun,YH;Asefa,T;Chen,W;Zou,XX Angew.Chem.Int.Ed.,2015,54:10752.
[2]Liu,YP;Yu,GT;Li,GD;Sun,YH;Asefa,T;Chen,W;Zou,XX Angew.Chem.Int.Ed.,2015,54:10752.