First-Principles study of intrinsic defects in ammonia borane

Wang, Jianchuan; Freysoldt, Christoph; Du, Yong; Sun, Lixian

doi:10.1021/acs.jpcc.7b07273

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First-Principles study of intrinsic defects in ammonia borane

Wang, J., Freysoldt, C., Du, Y., & Sun, L. (2017). First-Principles study of intrinsic defects in ammonia borane. The Journal of Physical Chemistry C, 121(41), 22680-22689. doi:10.1021/acs.jpcc.7b07273.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-002E-316E-C Version Permalink: https://hdl.handle.net/11858/00-001M-0000-002E-3176-7

Genre: Journal Article

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Creators:
Wang, Jianchuan¹, Author
Freysoldt, Christoph², Author
Du, Yong³, Author
Sun, Lixian⁴, Author

Affiliations:
1State Key Laboratory of Powder Metallurgy, Central South University, 410083 Changsha, China, persistent22
2Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863342
3State Key Lab for Powder Metallurgy,Central South University, 410083 Changsha, Hunan, China, ou_persistent22
4School of Material Science and Engineering, Guilin University of Electronic Technology, 541004 Guilin, China, persistent22

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Language(s): eng - English

Dates: Published Online: 2017-09-26Date issued: 2017-10-19

Publication Status: Issued

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Rev. Type: Peer

Identifiers: DOI: 10.1021/acs.jpcc.7b07273

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Title: The Journal of Physical Chemistry C

Abbreviation : J. Phys. Chem. C

Source Genre: Journal

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Publ. Info: Washington, D.C. : American Chemical Society

Pages: - Volume / Issue: 121 (41) Sequence Number: - Start / End Page: 22680 - 22689 Identifier: ISSN: 1932-7447
CoNE: https://pure.mpg.de/cone/journals/resource/954926947766