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Qin, Guangzhao, Xu, Jianhua, Wang, Huimin, Qin, Zhenzhen, Hu, Ming (2023) Activated Lone-Pair Electrons Lead to Low Lattice Thermal Conductivity: A Case Study of Boron Arsenide. The Journal of Physical Chemistry Letters, 14 (1) 139-147 doi:10.1021/acs.jpclett.2c03255

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Reference TypeJournal (article/letter/editorial)
TitleActivated Lone-Pair Electrons Lead to Low Lattice Thermal Conductivity: A Case Study of Boron Arsenide
JournalThe Journal of Physical Chemistry Letters
AuthorsQin, GuangzhaoAuthor
Xu, JianhuaAuthor
Wang, HuiminAuthor
Qin, ZhenzhenAuthor
Hu, MingAuthor
Year2023 (January 12)Volume14
Issue1
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpclett.2c03255Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID15662611Long-form Identifiermindat:1:5:15662611:0
GUID0
Full ReferenceQin, Guangzhao, Xu, Jianhua, Wang, Huimin, Qin, Zhenzhen, Hu, Ming (2023) Activated Lone-Pair Electrons Lead to Low Lattice Thermal Conductivity: A Case Study of Boron Arsenide. The Journal of Physical Chemistry Letters, 14 (1) 139-147 doi:10.1021/acs.jpclett.2c03255
Plain TextQin, Guangzhao, Xu, Jianhua, Wang, Huimin, Qin, Zhenzhen, Hu, Ming (2023) Activated Lone-Pair Electrons Lead to Low Lattice Thermal Conductivity: A Case Study of Boron Arsenide. The Journal of Physical Chemistry Letters, 14 (1) 139-147 doi:10.1021/acs.jpclett.2c03255
In(2023, January) The Journal of Physical Chemistry Letters Vol. 14 (1) American Chemical Society (ACS)

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Wang, Huimin, Qin, Guangzhao, Qin, Zhenzhen, Li, Guojian, Wang, Qiang, Hu, Ming (2018) Lone-Pair Electrons Do Not Necessarily Lead to Low Lattice Thermal Conductivity: An Exception of Two-Dimensional Penta-CN2. The Journal of Physical Chemistry Letters, 9 (10). 2474-2483 doi:10.1021/acs.jpclett.8b00820
Chen, Ailing, Wei, Donghai, Xu, Jinyuan, Li, Aonan, Wang, Huimin, Qin, Zhenzhen, Qin, Guangzhao (2023) Alloying Reversed Anisotropy of Thermal Transport in Bulk Al0.5Ga0.5N. The Journal of Physical Chemistry Letters, 14 (43) 9746-9757 doi:10.1021/acs.jpclett.3c02254
Qin, Guangzhao, Wei, Yi, Yu, Linfeng, Xu, Jinyuan, Ojih, Joshua, Rodriguez, Alejandro David, Wang, Huimin, Qin, Zhenzhen, Hu, Ming (2023) Predicting lattice thermal conductivity from fundamental material properties using machine learning techniques. Journal of Materials Chemistry A, 11 (11) 5801-5810 doi:10.1039/d2ta08721a
Qin, Guangzhao, Qin, Zhenzhen, Wang, Huimin, Hu, Ming (2017) Anomalously temperature-dependent thermal conductivity of monolayer GaN with large deviations from the traditional 1/T law. Physical Review B, 95 (19) doi:10.1103/physrevb.95.195416
Qin, Guangzhao, Zhang, Xiaoliang, Yue, Sheng-Ying, Qin, Zhenzhen, Wang, Huimin, Han, Yang, Hu, Ming (2016) Resonant bonding driven giant phonon anharmonicity and low thermal conductivity of phosphorene. Physical Review B, 94 (16) doi:10.1103/physrevb.94.165445
Qin, Zhenzhen, Qin, Guangzhao, Zuo, Xu, Xiong, Zhihua, Hu, Ming (2017) Orbitally driven low thermal conductivity of monolayer gallium nitride (GaN) with planar honeycomb structure: a comparative study. Nanoscale, 9. 4295-4309 doi:10.1039/c7nr01271c
Xu, Jinyuan, Chen, Ailing, Yu, Linfeng, Wei, Donghai, Tian, Qikun, Wang, Huimin, Qin, Zhenzhen, Qin, Guangzhao (2022) The record low thermal conductivity of monolayer cuprous iodide (CuI) with a direct wide bandgap. Nanoscale, 14 (46) 17401-17408 doi:10.1039/d2nr04408k
Wang, Huimin, Qin, Guangzhao, Li, Guojian, Wang, Qiang, Hu, Ming (2017) Low thermal conductivity of monolayer ZnO and its anomalous temperature dependence. Physical Chemistry Chemical Physics, 19 (20). 12882-12889 doi:10.1039/c7cp00460e
Qin, Guangzhao, Yan, Qing-Bo, Qin, Zhenzhen, Yue, Sheng-Ying, Hu, Ming, Su, Gang (2015) Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles. Physical Chemistry Chemical Physics, 17 (7). 4854-4858 doi:10.1039/c4cp04858j
Wang, Huimin, Zhou, E, Duan, Fuqing, Wei, Donghai, Zheng, Xiong, Tang, Chao, Ouyang, Tao, Yao, Yagang, Qin, Guangzhao, Zhong, Jianxin (2021) Unique Arrangement of Atoms Leads to Low Thermal Conductivity: A Comparative Study of Monolayer Mg2C. The Journal of Physical Chemistry Letters, 12 (42) 10353-10358 doi:10.1021/acs.jpclett.1c02944
Qin, Guangzhao, Qin, Zhenzhen, Wang, Huimin, Hu, Ming (2018) On the diversity in the thermal transport properties of graphene: A first-principles-benchmark study testing different exchange-correlation functionals. Computational Materials Science, 151. 153-159 doi:10.1016/j.commatsci.2018.05.007
 
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