Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials von Verdi, Carla, Karsai, Ferenc, Liu, Peitao, Jinnouchi, Ryosuke, Kresse, Georg

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Bifunctional Oxygen Electrocatalyst of Mesoporous Ni/NiO Nanosheets for Flexible Rechargeable Zn–Air Batteries von Liu, Peitao, Ran, Jiaqi, Xia, Baorui, Xi, Shibo, Gao, Daqiang, Wang, John

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Dual‐Functional N Dopants in Edges and Basal Plane of MoS2 Nanosheets Toward Efficient and Durable Hydrogen Evolution von Xiao, Wen, Liu, Peitao, Zhang, Jingyan, Song, Wendong, Feng, Yuan Ping, Gao, Daqiang, Ding, Jun

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Self‐Powered Water‐Splitting Devices by Core–Shell NiFe@N‐Graphite‐Based Zn–Air Batteries von Liu, Peitao, Gao, Daqiang, Xiao, Wen, Ma, Lei, Sun, Ke, Xi, Pinxian, Xue, Desheng, Wang, John

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Facile one-step synthesis of phosphorus-doped CoS2 as efficient electrocatalyst for hydrogen evolution reaction von Zhang, Jingyan, Liu, Yuchan, Xia, Baorui, Sun, Changqi, Liu, Yonggang, Liu, Peitao, Gao, Daqiang

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P Dopants Triggered New Basal Plane Active Sites and Enlarged Interlayer Spacing in MoS2 Nanosheets toward Electrocatalytic Hydrogen Evolution von Liu, Peitao, Zhu, Jingyi, Zhang, Jingyan, Xi, Pinxian, Tao, Kun, Gao, Daqiang, Xue, Desheng

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Unraveling Meso-Substituent Steric Effects on the Mechanism of Hydrogen Evolution Reaction in NiII Porphyrin Hydrides Using DFT Method von Li, Xiaodong, Feng, Ailing, Zu, Yanqing, Liu, Peitao

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Deciphering the phase transition-induced ultrahigh piezoresponse in (K,Na)NbO3-based piezoceramics von Zhang, Mao-Hua, Shen, Chen, Zhao, Changhao, Dai, Mian, Yao, Fang-Zhou, Wu, Bo, Ma, Jian, Nan, Hu, Wang, Dawei, Yuan, Qibin, da Silva, Lucas Lemos, Fulanović, Lovro, Schökel, Alexander, Liu, Peitao, Zhang, Hongbin, Li, Jing-Feng, Zhang, Nan, Wang, Ke, Rödel, Jürgen, Hinterstein, Manuel

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Cu and Co nanoparticle-Co-decorated N-doped graphene nanosheets: a high efficiency bifunctional electrocatalyst for rechargeable Zn-air batteries von Liu, Peitao, Hu, Yating, Liu, Xiaokai, Wang, Tongtong, Xi, Pinxian, Xi, Shibo, Gao, Daqiang, Wang, John

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Experimental and Theoretical Study on Crown Ether-Appended-Fe(III) Porphyrin Complexes and Catalytic Oxidation Cyclohexene with O2 von Li, Xiaodong, Feng, Ailing, Zu, Yanqing, Liu, Peitao, Han, Fengbo

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Extra-electron induced covalent strengthening and generalization of intrinsic ductile-to-brittle criterion von Niu, Haiyang, Chen, Xing-Qiu, Liu, Peitao, Xing, Weiwei, Cheng, Xiyue, Li, Dianzhong, Li, Yiyi

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Anion regulation for surface passivation enables ultrahigh-stability perovskite nanocrystals von Zhang, Tong, Zu, Yanqing, Zeng, Binglin, Gan, Run, Liu, Peitao, Li, Xiaodong, Han, Fengbo, Qian, Yu, Zhao, Lei, Feng, Ailing, Wu, Zhaoxin

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Advanced First-Principle Modeling of Relativistic Ruddlesden-Popper Strontium Iridates von Liu, Peitao, Franchini, Cesare

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Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals von Tal, Alexey, Liu, Peitao, Kresse, Georg, Pasquarello, Alfredo

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Layer-by-layer phase transformation in Ti3O5 revealed by machine-learning molecular dynamics simulations von Liu, Mingfeng, Wang, Jiantao, Hu, Junwei, Liu, Peitao, Niu, Haiyang, Yan, Xuexi, Li, Jiangxu, Yan, Haile, Yang, Bo, Sun, Yan, Chen, Chunlin, Kresse, Georg, Zuo, Liang, Chen, Xing-Qiu

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Zigzag-edge related ferromagnetism in MoSe2 nanoflakes von Xia, Baorui, Gao, Daqiang, Liu, Peitao, Liu, Yonggang, Shi, Shoupeng, Tao, Kun

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Anion vacancy-mediated ferromagnetism in atomic-thick Ni3N nanosheets von Xia, Baorui, Wang, Tongtong, Chi, Xiao, Yu, Xiaojiang, Liu, Peitao, Zhang, Jingyan, Xi, Shibo, Du, Yonghua, Gao, Daqiang

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Nitrogen-tailored quasiparticle energy gaps of polyynes von Zhang, Kan, Li, Jiling, Liu, Peitao, Yang, Guowei, Shi, Lei

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Interstitial-boron solution strengthened WB3+ x von Cheng, Xiyue, Zhang, Wei, Chen, Xing-Qiu, Niu, Haiyang, Liu, Peitao, Du, Kui, Liu, Gang, Li, Dianzhong, Cheng, Hui-Ming, Ye, Hengqiang, Li, Yiyi

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Phase-transfer induced room temperature ferromagnetic behavior in 1T@2H-MoSe2 nanosheets von Xia, Baorui, Wang, Tongtong, Xiao, Wen, Zhang, Rongfang, Liu, Peitao, Ding, Jun, Gao, Daqiang, Xue, Desheng

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