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Wang, Jianchuan, Du, Yong, Sun, Lixian (2015) [P7] Intrinsic defects in ammonia borane: density functional theory calculations augmented with van der Waals correction. Calphad, 51. 373 doi:10.1016/j.calphad.2015.01.096

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Reference TypeJournal (article/letter/editorial)
Title[P7] Intrinsic defects in ammonia borane: density functional theory calculations augmented with van der Waals correction
JournalCalphad
AuthorsWang, JianchuanAuthor
Du, YongAuthor
Sun, LixianAuthor
Year2015 (December)Volume51
PublisherElsevier BV
DOIdoi:10.1016/j.calphad.2015.01.096Search in ResearchGate
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Mindat Ref. ID14974734Long-form Identifiermindat:1:5:14974734:1
GUID0
Full ReferenceWang, Jianchuan, Du, Yong, Sun, Lixian (2015) [P7] Intrinsic defects in ammonia borane: density functional theory calculations augmented with van der Waals correction. Calphad, 51. 373 doi:10.1016/j.calphad.2015.01.096
Plain TextWang, Jianchuan, Du, Yong, Sun, Lixian (2015) [P7] Intrinsic defects in ammonia borane: density functional theory calculations augmented with van der Waals correction. Calphad, 51. 373 doi:10.1016/j.calphad.2015.01.096
In(2015) Calphad Vol. 51. Elsevier BV

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Wang, Jianchuan, Freysoldt, Christoph, Du, Yong, Sun, Lixian (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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Du, Yong, Li, Lingling, Wang, Jiong, Wang, Jianchuan, Jin, Zhanpeng (2009) A thermodynamic description of the Ge–Sr system acquired via a hybrid approach of CALPHAD and first-principles calculations. Calphad, 33 (4) 719-722 doi:10.1016/j.calphad.2009.09.004
Wang, Shaoqing, Du, Yong, Chen, Xiangming (2015) [P97] Computational Investigations of the CVD Process. Calphad, 51. 404 doi:10.1016/j.calphad.2015.01.185
Huang, Guoxing, Zeng, Lijun, Wang, Xing, Liu, Libin (2015) [O22] First-principles calculations of point defects in B2 phase. Calphad, 51. 351-352 doi:10.1016/j.calphad.2015.01.029
Wang, Jianchuan, Du, Yong, Xu, Honghui, Jiang, Chao, Kong, Yi, Sun, Lixian, Liu, Zi-Kui (2011) Native defects in LiNH2: A first-principles study. Physical Review B, 84 (2) doi:10.1103/physrevb.84.024107
Noh, Ji-Young, Kim, Hanchul (2012) Van der Waals interaction between P4 molecules: Density functional theory calculations with dispersion correction. Journal of the Korean Physical Society, 60 (3). 410-414 doi:10.3938/jkps.60.410
 
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