Zobrazeno 1 - 10
of 1 678
pro vyhledávání: '"Zuo,Guang"'
The primary challenge of density-functional-theory exploration of alloy systems concerns the size of computational model. Small alloy models can hardly exhibit the chemical disorder properly, while large models induce difficulty in sampling the align
Externí odkaz:
http://arxiv.org/abs/2406.18013
Autor:
Pan, Fang, Zhai, Junni, Chen, Jinyu, Yang, Lin, Dong, Hua, Yuan, Fang, Jiang, Zhuangde, Ren, Wei, Ye, Zuo-Guang, Zhang, Guo-Xu, Li, Jingrui
Stability is one of the key issues in mixed-halide perovskite alloys which are promising in emergent optoelectronics. Previous density-functional-theory (DFT) and machine learning studies indicate that the formation-energy convex hulls of these mater
Externí odkaz:
http://arxiv.org/abs/2402.19274
Autor:
Li, Jingrui, Pan, Fang, Zhang, Guo-Xu, Liu, Zenghui, Dong, Hua, Wang, Dawei, Jiang, Zhuangde, Ren, Wei, Ye, Zuo-Guang, Todorović, Milica, Rinke, Patrick
Structural disorder is common in metal-halide perovskites and important for understanding the functional properties of these materials. First-principles methods can address structure variation on the atomistic scale, but they are often limited by the
Externí odkaz:
http://arxiv.org/abs/2303.08426
Autor:
Chao Li, Lingyan Wang, Liqiang Xu, Xuerong Ren, Fangzhou Yao, Jiangbo Lu, Dong Wang, Zhongshuai Liang, Ping Huang, Shengqiang Wu, Hongmei Jing, Yijun Zhang, Guohua Dong, Haixia Liu, Chuansheng Ma, Yinong Lyu, Xiaoyong Wei, Wei Ren, Ke Wang, Zuo-Guang Ye, Feng Chen
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-9 (2024)
Abstract Improvements in the polarization of environmentally-friendly perovskite ferroelectrics have proved to be a challenging task in order to replace the toxic Pb-based counterparts. In contrast to common methods by complex chemical composition de
Externí odkaz:
https://doaj.org/article/c3b687b030aa4c0bb425015d5619ebe4
Autor:
Jingrui Li, Fang Pan, Guo‐Xu Zhang, Zenghui Liu, Hua Dong, Dawei Wang, Zhuangde Jiang, Wei Ren, Zuo‐Guang Ye, Milica Todorović, Patrick Rinke
Publikováno v:
Small Structures, Vol 5, Iss 11, Pp n/a-n/a (2024)
Structural disorder is common in metal‐halide perovskites and important for understanding the functional properties of these materials. First‐principles methods can address structure variation on the atomistic scale, but they are often limited by
Externí odkaz:
https://doaj.org/article/b53711afebd54fa0b8d64df19cc31ba2
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-8 (2024)
Abstract In situ high-pressure/high-temperature Raman-scattering analyses on PbTiO $$_3$$ 3 , 0.92PbTiO $$_3-$$ 3 - 0.08Bi(Zn $$_{0.5}$$ 0.5 Ti $$_{0.5}$$ 0.5 )O $$_3$$ 3 and 0.83PbTiO $$_3-$$ 3 - 0.17Bi(Mg $$_{0.5}$$ 0.5 Ti $$_{0.5}$$ 0.5 )O $$_3$$
Externí odkaz:
https://doaj.org/article/de0f461004a5457281ccfdcc3e82485b
Publikováno v:
In Solid State Communications 1 November 2024 391
Autor:
Chen, Annan, Su, Jin, Zhou, Muran, Cang, Mingpei, Li, Yinjin, Shi, Yunsong, Zhang, Zhen, Zhu, Yangzhi, Su, Bin, Liu, Yang, Ye, Zuo-Guang, Shi, Yusheng, Röedel, Jüergen, Cui, Huachen, Zhang, Haibo, Zhou, Kun, Lu, Jian, Yan, Chunze
Publikováno v:
In Materials Science & Engineering R January 2025 162
Autor:
Dina Sheyfer, Hao Zheng, Matthew Krogstad, Carol Thompson, Hoydoo You, Jeffrey A. Eastman, Yuzi Liu, Bi-Xia Wang, Zuo-Guang Ye, Stephan Rosenkranz, Daniel Phelan, Eric M. Dufresne, G. Brian Stephenson, Yue Cao
Publikováno v:
Journal of Synchrotron Radiation, Vol 31, Iss 1, Pp 55-64 (2024)
X-ray photon correlation spectroscopy (XPCS) holds strong promise for observing atomic-scale dynamics in materials, both at equilibrium and during non-equilibrium transitions. Here an in situ XPCS study of the relaxor ferroelectric PbMg1/3Nb2/3O3 (PM
Externí odkaz:
https://doaj.org/article/fc8f7f346547420ba2ff26ea98e20b3e
Publikováno v:
In Ceramics International 1 December 2024 50(23) Part C:52118-52126