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Title: Single vs double atom catalyst for N 2 activation in nitrogen reduction reaction: A DFT perspective

Authors:
 [1];  [2];  [3];  [3]; ORCiD logo [2]
  1. Institute of Functional Nano &, Soft Materials (FUNSOM)Jiangsu Key Laboratory for Carbon‐Based Functional Materials &, Devices, Soochow University Suzhou Jiangsu China, Materials Science and Engineering Program and Department of Mechanical EngineeringThe University of Texas at Austin Austin Texas
  2. Materials Science and Engineering Program and Department of Mechanical EngineeringThe University of Texas at Austin Austin Texas
  3. Institute of Functional Nano &, Soft Materials (FUNSOM)Jiangsu Key Laboratory for Carbon‐Based Functional Materials &, Devices, Soochow University Suzhou Jiangsu China
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1592491
Alternate Identifier(s):
OSTI ID: 1592492
Grant/Contract Number:  
DE‐SC0019019
Resource Type:
Published Article
Journal Name:
EcoMat
Additional Journal Information:
Journal Name: EcoMat; Journal ID: ISSN 2567-3173
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Country unknown/Code not available
Language:
English

Citation Formats

Qian, Yumin, Liu, Yuanyue, Zhao, Yu, Zhang, Xiaohong, and Yu, Guihua. Single vs double atom catalyst for N 2 activation in nitrogen reduction reaction: A DFT perspective. Country unknown/Code not available: N. p., 2020. Web. doi:10.1002/eom2.12014.
Qian, Yumin, Liu, Yuanyue, Zhao, Yu, Zhang, Xiaohong, & Yu, Guihua. Single vs double atom catalyst for N 2 activation in nitrogen reduction reaction: A DFT perspective. Country unknown/Code not available. doi:10.1002/eom2.12014.
Qian, Yumin, Liu, Yuanyue, Zhao, Yu, Zhang, Xiaohong, and Yu, Guihua. Sun . "Single vs double atom catalyst for N 2 activation in nitrogen reduction reaction: A DFT perspective". Country unknown/Code not available. doi:10.1002/eom2.12014.
@article{osti_1592491,
title = {Single vs double atom catalyst for N 2 activation in nitrogen reduction reaction: A DFT perspective},
author = {Qian, Yumin and Liu, Yuanyue and Zhao, Yu and Zhang, Xiaohong and Yu, Guihua},
abstractNote = {},
doi = {10.1002/eom2.12014},
journal = {EcoMat},
number = ,
volume = ,
place = {Country unknown/Code not available},
year = {2020},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1002/eom2.12014

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