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Sui, Tingting, Lian, Yafei, Xu, Mingxia, Zhang, Lisong, Li, Yanlu, Zhao, Xian, Sun, Xun (2018) Stability and electronic structure of hydrogen vacancies in ADP: hybrid DFT with vdW correction. RSC Advances, 8 (13). 6931-6939 doi:10.1039/c7ra13212c

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Reference TypeJournal (article/letter/editorial)
TitleStability and electronic structure of hydrogen vacancies in ADP: hybrid DFT with vdW correction
JournalRSC Advances
AuthorsSui, TingtingAuthor
Lian, YafeiAuthor
Xu, MingxiaAuthor
Zhang, LisongAuthor
Li, YanluAuthor
Zhao, XianAuthor
Sun, XunAuthor
Year2018Volume8
Issue13
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/c7ra13212cSearch in ResearchGate
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Mindat Ref. ID8123796Long-form Identifiermindat:1:5:8123796:2
GUID0
Full ReferenceSui, Tingting, Lian, Yafei, Xu, Mingxia, Zhang, Lisong, Li, Yanlu, Zhao, Xian, Sun, Xun (2018) Stability and electronic structure of hydrogen vacancies in ADP: hybrid DFT with vdW correction. RSC Advances, 8 (13). 6931-6939 doi:10.1039/c7ra13212c
Plain TextSui, Tingting, Lian, Yafei, Xu, Mingxia, Zhang, Lisong, Li, Yanlu, Zhao, Xian, Sun, Xun (2018) Stability and electronic structure of hydrogen vacancies in ADP: hybrid DFT with vdW correction. RSC Advances, 8 (13). 6931-6939 doi:10.1039/c7ra13212c
In(2018) RSC Advances Vol. 8 (13) Royal Society of Chemistry (RSC)

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Sui, Tingting, Lian, Yafei, Xu, Mingxia, Zhang, Lisong, Li, Yanlu, Zhao, Xian, Xu, Xinguang, Sun, Xun (2019) Comparison of hydrogen vacancies in KDP and ADP crystals: a combination of density functional theory calculations and experiment. Physical Chemistry Chemical Physics, 21 (11). 6186-6197 doi:10.1039/c8cp07685e
Sui, Tingting, Wei, Liening, Lian, Yafei, Xu, Mingxia, Zhang, Lisong, Li, Yanlu, Zhao, Xian, Xu, Xinguang, Sun, Xun (2020) Structural stress and extra optical absorption induced by the intrinsic cation defects in KDP and ADP crystals: a theoretical study. CrystEngComm, 22. 1962-1969 doi:10.1039/c9ce01937e
Lian, Yafei, Xu, Mingxia, Zhang, Lisong, Cai, Dongting, Sui, Tingting, Sun, Xun, Chai, Xiangxu (2018) Rapid growth of ADP crystal in a defined crystallographic direction. CrystEngComm, 20. 917-923 doi:10.1039/c7ce02076g
Lian, Yafei, Zhu, Lili, Sui, Tingting, Yu, Guangwei, Zhang, Lisong, Zhou, Hailiang, Xu, Mingxia, Sun, Xun (2016) The rapid growth of ADP single crystal. CrystEngComm, 18. 7530-7536 doi:10.1039/c6ce01492e
Sui, Tingting, Wei, Liening, Cao, Xingzhong, Xu, Mingxia, Zhang, Lisong, Zhao, Xian, Chen, Zhenxue, Li, Yanlu, Xu, Xinguang, Sun, Xun (2020) Comparison of oxygen vacancy and interstitial oxygen in KDP and ADP crystals from density functional theory calculations. Computational Materials Science, 182. 109783pp. doi:10.1016/j.commatsci.2020.109783
Li, Yang, Liu, Baoan, Li, Yanlu, Sui, Tingting, Zhao, Xian, Xu, Mingxia, Sun, Xun (2022) Hybrid density functional theory calculations for the electronic and optical properties of Fe3+-doped KDP crystals. CrystEngComm, 24 (46) 8082-8088 doi:10.1039/d2ce01285e
Lian, Yafei, Yu, Guangwei, Liu, Fafu, Zhang, Lisong, Xu, Mingxia, Zhou, Hailiang, Sun, Xun, Gu, Qingtian (2017) Prismatic morphology of an ADP crystal grown in a defined crystallographic direction. RSC Advances, 7 (83). 52962-52969 doi:10.1039/c7ra08245b
Li, Yang, Jiang, Xuanyu, Wu, Pengcheng, Zhang, Lisong, Liu, Baoan, Li, Yanlu, Zhao, Xian, Sun, Xun, Xu, Mingxia (2023) Insight into the Stability and Properties of Znā€Doped KH2PO4 Crystal by Hybrid Density Functional Theory. Crystal Research and Technology, 58 (1) doi:10.1002/crat.202200107
Li, Yang, Li, Zhenshi, Liu, Baoan, Sun, Xun, Xu, Mingxia, Zhang, Lisong, Zhao, Xian, Lei, Guodong (2024) Hybrid Density Functional Theory Calculations for the Crystal Structure and Electronic Properties of Al3+ Doped KDP Crystals. Crystals, 14 (5) 410 doi:10.3390/cryst14050410
Li, Yang, Hao, Guokai, Bai, Jianyu, Sui, Tingting, Wei, Liening, Sun, Xun, Zhao, Xian, Xu, Mingxia, Liu, Baoan (2023) Structural and electronic properties and optical absorption of oxygen vacancy cluster defects in KDP crystals: hybrid density functional theory investigation. CrystEngComm, 25 (19) 2959-2965 doi:10.1039/d2ce01666d
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