Two-Dimensional Carbonitride MXenes as an Efficient Electrocatalyst for Hydrogen Evolution
文献类型：期刊论文
| 作者 | Wei, Bo; Fu, Zhongheng; Legut, Dominik; Germann, Timothy C.; Zhang, Qianfan; Du, Shiyu; Zhang, Haijun; Francisco, Joseph S.; Zhang, Ruifeng |
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY C
 |
| 出版日期 | 2021 |
| 卷号 | 125期号:8页码:4477-4488 |
| 英文摘要 | Owing to their excellent thermostability, superior electrical conductivity, and tunable surface chemistry, two-dimensional transition-metal carbides, nitrides, and carbonitrides (MXenes) are highly desirable as potential electrocatalysts for the hydrogen evolution reaction (HER). However, while nearly 30 MXenes have already been synthesized, less carbonitride MXenes were experimentally reported so far, yet their potential promising electrochemical properties are greatly expected. Here, we explored the thermodynamically favorable configurations of Mo-2(CN)T-x (T = F, OH, and O) with a mixture of functional groups under various electrochemical environments. It is revealed that the O*/OH*-terminated Mo-based carbonitride MXenes exhibit the most stable state under ambient conditions. By exploring the catalytic performance of HER for various Mo-2(CxN1-x)T-2 at different ratios of C and N atoms, we found that three optimal C/N ratios with 0.5 ML O* and 0.5 ML OH* showed good catalytic activity of HER, comparable to Pt metals. Further investigations of strain-tunable HER of the cofunctionalized Mo-2(CxN1-x)OOH suggest that the biaxial strain may effectively modify the Delta G(H*) of HER, which can be ascribed to the asymmetrical surface topology and charge polarization. These results provide not only a strategy to synthesize carbonitride MXenes with various surface functionalizations but also a feasible solution to design by chemical doping and strain engineering. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/22115]  |
| 专题 | 中国科学院宁波材料技术与工程研究所 2021专题_期刊论文 |
| 作者单位 | 1.Zhang, RF (corresponding author), Beihang Univ, Ctr Integrated Computat Mat Engn, Int Res Inst Multidisciplinary Sci, Beijing 100191, Peoples R China. 2.Zhang, HJ (corresponding author), Natl United Engn Lab Biomed Mat Modificat, Dezhou 251100, Shandong, Peoples R China. 3.Zhang, HJ (corresponding author), Tongji Univ, Peoples Hosp 10, Dept Vasc & Intervent, Shanghai 200072, Peoples R China. 4.Zhang, RF (corresponding author), Beihang Univ, Sch Mat Sci & Engn, Beijing 100191, Peoples R China. 5.Zhang, RF (corresponding author), Beihang Univ, Key Lab High Temp Struct Mat & Coatings Technol, Minist Ind & Informat Technol, Beijing 100191, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Wei, Bo,Fu, Zhongheng,Legut, Dominik,et al. Two-Dimensional Carbonitride MXenes as an Efficient Electrocatalyst for Hydrogen Evolution[J]. JOURNAL OF PHYSICAL CHEMISTRY C,2021,125(8):4477-4488. |
| APA | Wei, Bo.,Fu, Zhongheng.,Legut, Dominik.,Germann, Timothy C..,Zhang, Qianfan.,...&Zhang, Ruifeng.(2021).Two-Dimensional Carbonitride MXenes as an Efficient Electrocatalyst for Hydrogen Evolution.JOURNAL OF PHYSICAL CHEMISTRY C,125(8),4477-4488. |
| MLA | Wei, Bo,et al."Two-Dimensional Carbonitride MXenes as an Efficient Electrocatalyst for Hydrogen Evolution".JOURNAL OF PHYSICAL CHEMISTRY C 125.8(2021):4477-4488. |
入库方式： OAI收割
来源：宁波材料技术与工程研究所
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