Intrinsic Electron Localization of Metastable MoS2 Boosts Electrocatalytic Nitrogen Reduction to Ammonia
文献类型：期刊论文
| 作者 | Lin, Gaoxin; Ju, Qiangjian; Guo, Xiaowei; Zhao, Wei; Adimi, Samira; Ye, Jinyu; Bi, Qingyuan; Wang, Jiacheng; Yang, Minghui; Huang, Fuqiang |
| 刊名 | ADVANCED MATERIALS
 |
| 出版日期 | 2021 |
| 卷号 | 33期号:32 |
| 关键词 | CATALYTIC-REDUCTION PLANE-WAVE DINITROGEN MOLYBDENUM ELECTROREDUCTION FIXATION PLATINUM |
| 英文摘要 | The advancement of efficient electrocatalysts toward the nitrogen reduction reaction (NRR) is critical in sustainable ammonia synthesis under ambient pressure and temperature. Manipulating the electronic configuration of electrocatalysts is particularly vital to form metal-nitrogen (M-N) bonds during the NRR through regulating the active electronic states of sites. Here, in sharp contrast to stable 2H MoS2 without metal chains, Mo-Mo bonding in metastable polymorphs of MoS2 bulk (zigzag chain in the 1T ' phase and diamond chain in the 1T ''' phase) is discovered to significantly increase intrinsic electron localization around the metal chains. This can enhance the charge transfer from the adsorbed nitrogen molecule to the metal chains, allowing for boosted NRR kinetics. The electrochemical experiments show that the NH3 yield rate and the faradaic efficiency of the metastable 1T ''' MoS2 rich with abundant Mo-Mo bonds are about 9 and 12 times above average than those of 2H MoS2, correspondingly. Theoretical simulations reveal the high local electron density surrounding the Mo-Mo chains and sites can promote pi back-donation, which is beneficial for increasing nitrogen adsorption, strengthening the M-N bonds, and reducing the cleavage barrier of the triple N(sic)N bond. |
| 源URL | [http://ir.nimte.ac.cn/handle/174433/21761]  |
| 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.Huang, FQ (corresponding author), Peking Univ, Coll Chem & Mol Engn, State Key Lab Rare Earth Mat Chem & Applicat, Beijing 100871, Peoples R China. 2.Wang, JC 3.Huang, FQ (corresponding author), Chinese Acad Sci, Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 201899, Peoples R China. 4.Yang, MH (corresponding author), Univ Chinese Acad Sci, Ctr Mat Sci & Optoelect Engn, Beijing 100049, Peoples R China. 5.Yang, MH (corresponding author), Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, 1219 Zhongguan West Rd, Ningbo 315201, Peoples R China. |
| 推荐引用方式 GB/T 7714 | Lin, Gaoxin,Ju, Qiangjian,Guo, Xiaowei,et al. Intrinsic Electron Localization of Metastable MoS2 Boosts Electrocatalytic Nitrogen Reduction to Ammonia[J]. ADVANCED MATERIALS,2021,33(32). |
| APA | Lin, Gaoxin.,Ju, Qiangjian.,Guo, Xiaowei.,Zhao, Wei.,Adimi, Samira.,...&Huang, Fuqiang.(2021).Intrinsic Electron Localization of Metastable MoS2 Boosts Electrocatalytic Nitrogen Reduction to Ammonia.ADVANCED MATERIALS,33(32). |
| MLA | Lin, Gaoxin,et al."Intrinsic Electron Localization of Metastable MoS2 Boosts Electrocatalytic Nitrogen Reduction to Ammonia".ADVANCED MATERIALS 33.32(2021). |
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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