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刘培涛 (Peitao Liu)

chinese academy of sciences

38H-index
185Paper Count
5.5KCitation Count
Published Papers 101
Publication Date
A first-principles study of hydrogen dissolution, diffusion, and vacancy trapping in Fe16N2
err2026-06-15
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PREAI
errErgen Bao; Qiang Gao; Wenjing Xu; Yueqi Si; Hui Ma; Peitao Liu; Yan Sun; Xing-Qiu Chen
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Non-bonding-driven martensitic transformation in NiTi
err2026-05-23
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PREAI
errYang, Jin-Han; Zhao, Ying; Jia, Nan; Liu, Peitao; Chen, Xing-Qiu; Yan, Hai-Le; Zuo, Liang
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Ultrahigh efficiency solar evaporation through orchestrated multiphase flow
err2026-05-07
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errOAAI
errRuolan Tang; Wanqi Chen; Bo Yang; Jiantao Wang; Bo Zhang; Banghe Lv; Hai-Le Yan; Zongbin Li; Song Li; Peitao Liu; Xing-Qiu Chen; Liang Zuo
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Point defects in monolayer WSi2N4 and MoSi2N4
err2026-03-23
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errOAAI
errJinmeng Tong; Yu Cao; Yuan-Kun Wang; Zhibo Liu; Dayong Yang; Chengjian He; Chuan Xu; Peitao Liu; Shao-Chun Li; Xing-Qiu Chen; Wencai Ren
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Atomistic mechanisms of phase transitions in all-temperature barocaloric material KPF6
err2025-11-15
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PREAI
errJiantao Wang; Yi-Chi Zhang; Yan Liu; Hongkun Deng; Mingfeng Liu; Yan Sun; Bing Li; Xing-Qiu Chen; Peitao Liu
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All-temperature barocaloric effects at pressure-induced phase transitions
err2025-08-19
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errOAAI
errXueting Zhao; Zhao Zhang; Takanori Hattori; Jiantao Wang; Lingli Li; Yating Jia; Wanwu Li; Jianing Xue; Xiaoyan Fan; Ruiqi Song; Jinlong Zhu; Peitao Liu; Xing-Qiu Chen; Zhidong Zhang; Bing Li
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Unconventional scaling of the orbital Hall effect
err2025-08-15
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PREAI
errSiyang Peng; Xuan Zheng; Sheng Li; Bin Lao; Yamin Han; Zhaoliang Liao; Hongsheng Zheng; Yumeng Yang; Tianye Yu; Peitao Liu; Yan Sun; Xing-Qiu Chen; Shouzhong Peng; Weisheng Zhao; Run-Wei Li; Zhiming Wang
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Bifunctional ligand passivation enables robust-stability perovskite nanocrystals for backlit display
err2025-06-20
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PREAI
errYanqing Zu; Tong Zhang; Lixia Jing; Hongyan Gao; Wanjia Wang; Kangmin Yang; Binglin Zeng; Run Gan; Decui Gong; Peitao Liu; Xiaodong Li; Lei Zhao; Zhaoxin Wu; Ailing Feng
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Sr TMO2.5 with chirally-ordered oxygen vacancies: A first-principles study
err2025-06-16
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PREAI
errYu Cao; Yi-Chi Zhang; Yan Sun; Liang Si; Xing-Qiu Chen; Peitao Liu
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Néel vector-dependent anomalous transport in altermagnetic metal CrSb
err2025-05-15
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errOAAI
errYu, Tianye; Shahid, Ijaz; Liu, Peitao; Chen, Xing-Qiu
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Nonlinear Optical Response in Kagome Lattice with Inversion Symmetry Breaking
err2025-05-12
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PREAI
errLiu, XY; Lai, JW; Zhan, J; Yu, TY; Liu, PT; Yunoki, S; Chen, XQ; Sun, Y
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Energetics of the coupled electronic-structural transition in the rare-earth nickelates (vol 4, 5, 2019)
err2025-04-04
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errOAAI
errHampel, Alexander; Liu, Peitao; Franchini, Cesare; Ederer, Claude
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Acid-free bidentate ligand passivation enables high-performance perovskite nanocrystals for X-ray imaging and display
err2025-04-01
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PREAI
errZu, Yanqing; Zhang, Tong; Zeng, Binglin; Gong, Decui; Yang, Chengzhang; Wang, Chujie; Gan, Run; Jing, Lixia; Liu, Peitao; Li, Xiaodong; Zhao, Lei; Wu, Zhaoxin
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The Fe-N system: crystal structure prediction, phase stability, and mechanical properties
err2025-03-01
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PREAI
errBao, Ergen; Zhao, Jinbin; Gao, Qiang; Shahid, Ijaz; Ma, Hui; Luo, Yixiu; Liu, Peitao; Sun, Yan; Chen, Xing-Qiu
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Prediction of the Dual Quantum Spin Hall Insulator in the NbIrTe4 Monolayer
err2025-02-05
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PREAI
errLiu, Xiangyang; Lai, Junwen; Zhan, Jie; Yu, Tianye; Shi, Wujun; Liu, Peitao; Chen, Xing-Qiu; Sun, Yan
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Anchoring group regulation of bridging molecules enables brightly luminescent and ultra-stable Cs2ZrCl6@SiO2 scintillator for high-resolution X-ray imaging
err2025-01-01
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PREAI
errGan, Run; Zu, Yanqing; Zhang, Tong; Yang, Chengzhang; Wang, Chujie; Zeng, Binglin; Liu, Peitao; Li, Xiaodong; Han, Fengbo; Qian, Yu; Zhao, Lei; Feng, Ailing; Wu, Zhaoxin
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Research Directions

第一性原理计算方法开发机器学习势函数构建机器学习结构搜索强关联量子材料设计