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Peer-reviewed journal papers | Conference   *   Shell DFT-1/2 | Ferroelectrics
 
     
  151. (2024n) Run-Jie Peng, Ying Zhu, Jun-Hui Yuan*, Kan-Hao Xue*, and Jiafu Wang*,

A Family of Two-Dimensional Quaternary Compounds A2BXY2 (A = K, Na; B = Li, Na; X = Al, Ga, In; Y = P, As, Sb) for Optoelectronics Applications,

ACS Applied Materials & Interfaces 16, 69744 (2024).


Impact Factor: 10.383

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  150. (2024m) Lei Tong, Yali Bi, Yilun Wang, Kai Peng, Xinyu Huang, Wei Ju, Zhuiri Peng, Zheng Li, Langlang Xu, Runfeng Lin, Xiangxiang Yu, Wenhao Shi, Hui Yu, Huajun Sun, Kanhao Xue, Qiang He, Ming Tang, Jianbin Xu, Xinliang Zhang, Jinshui Miao, Deep Jariwala, Wei Bao*, Xiangshui Miao*, Ping Wang*, and Lei Ye*,

Programmable nonlinear optical neuromorphic computing with bare 2D material MoS2,

Nature Communications 15, 10290 (2024).


Impact Factor: 17.694

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  149. (2024l) Ge-Qi Mao, Heng Yu, Kan-Hao Xue*, Jinhai Huang, Zijian Zhou, and Xiangshui Miao,

Unique switching mode of HfO2 among fluorite-type ferroelectric candidates,

Journal of Materials Chemistry C 12, 15463 (2024).


Impact Factor: 8.067

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  148. (2024k) Chang Zhang, Shijiao Sun*, Kan-Hao Xue, Yingchun Miao, Xiulan Hu, and Xiangyu Zhao*,

Graphene oxide coated functional separators as efficient metal chloride blocking layers for chloride ion batteries,

Journal of Materials Chemistry A 12, 24203 (2024).


Impact Factor: 14.511

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  147. (2024j) Sheng-Guang Ren, Ge-Qi Mao, Yi-Bai Xue, Yu Zhang, Jia-Yi Sun, Wen-Bin Zuo, Yi Li*, Kan-Hao Xue*, and Xiang-Shui Miao,

Interface modeling analysis using density functional theory in highly reliable Pt/HfO2/TaOx/Ta self-rectifying memristor,

Applied Physics Letters 125, 123503 (2024).


Impact Factor: 3.971

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  146. (2024i) Heng Yu, Kan-Hao Xue*, Ge-Qi Mao, Nan Feng, Yunzhe Zheng, Shengxin Yang, Jinhai Huang, Zihui Chen, Wei Yang, Yan Cheng, Ben Xu*, and Xiangshui Miao,

Phase transitions in typical fluorite-type ferroelectrics,

Applied Physics Letters 125, 102903 (2024).


Impact Factor: 3.971

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  145. (2024h) Junru Yuan, Yi Li, Meng Wang, Xiaodi Huang, Tao Zhang, Kan-Hao Xue*, Junhui Yuan, Jun Ou-Yang, Xiaofei Yang, Xiangshui Miao*, and Benpeng Zhu*,

Ultrasound: A new strategy for artificial synapses modulation,

InfoMat 6, e12528 (2024).


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  144. (2024g) Mengling Xia*, Xijuan Sun, Fan Ye, Mingquan Liao, Jiaqi Liu, Shiyou Liu, Dong Wu, Yinsheng Xu, Xianghua Zhang, Kan-Hao Xue*, Xiangshui Miao, Jiang Tang, and Guangda Niu*,

Stereo-Hindrance Engineering of A Cation toward <110>-Oriented 2D Perovskite with Minimized Tilting and High-Performance X-Ray Detection,

Advanced Materials 36, 2313663 (2024).


Impact Factor: 32.086

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  143. (2024f) Jinhai Huang, Wei Yang, Zihui Chen, Shengxin Yang, Kan-Hao Xue*, and Xiangshui Miao,

Why is the bandgap of GaP indirect while that of GaAs and GaN are direct?,

Physica Status Solidi-Rapid Research Letters 18, 2300489 (2024).


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  142. (2024e) Zhengwei Ai, Shengxin Yang, Kan-Hao Xue*, Wei Yang, Jinhai Huang, and Xiangshui Miao,

DFT-1/2 for ionic insulators: Impact of self-energy potential on band gap correction,

Computational Materials Science 239, 112978 (2024).


Impact Factor: 3.572

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  141. (2024d) Fengjun Yan, Yao Wu, Yilong Liu, Pu Ai, Shiqing Deng, Kan-Hao Xue, Qiuyun Fu, and Wen Dong*,

Recent progress on defect-engineered ferroelectric HfO2: A next step moves forward by multiscale structural optimization,

Materials Horizons 11, 626 (2024).


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  140. (2024c) Xinyuan Du, Shan Zhao, Lu Wang, Haodi Wu, Fan Ye, Kan-Hao Xue, Shaoqian Peng, Jianlong Xia, Ziru Sang, Dongdong Zhang, Zuping Xiong, Zhiping Zheng, Ling Xu, Guangda Niu*, and Jiang Tang*,

Efficient and ultrafast organic scintillators by hot exciton manipulation,

Nature Photonics 18, 162 (2024).


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  139. (2024b) Zhou Cui, Baisheng Sa*, Kan-Hao Xue, Yinggan Zhang, Rui Xiong, Cuilian Wen, Xiangshui Miao, and Zhimei Sun*,

Magnetic-ferroelectric synergic control of multilevel conducting states in van der Waals multiferroic tunnel junctions towards in-memory computing,

Nanoscale 16, 1331 (2024).


Impact Factor: 8.307

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  138. (2024a) Qiliang Zhu, Fan Ye, Wei Yan, Jingrun Zhu, Jianhua Shen*, Kan-Hao Xue, Yihua Zhu, and Chunzhong Li*,

Liquid-solid-Interpenetration Surface Reconstruction of Monodisperse Water Stabilized CsPbBr3/CsPb2Br5 Core/Shell Perovskite Nanocrystals,

Advanced Optical Materials 12, 2301211 (2024).


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  137. (2023q) Zhao-Yi Yan, Zhan Hou, Kan-Hao Xue*, He Tian*, Tian Lu, Junying Xue, Fan Wu, Ruiting Zhao, Minghao Shao, Jianlan Yan, Anzhi Yan, Zhenze Wang, Penghui Shen, Mingyue Zhao, Xiangshui Miao, Zhaoyang Lin, Houfang Liu*, Yi Yang*, and Tian-Ling Ren*,

Landauer-QFLPS Model for Mixed Schottky-Ohmic Contact Two-Dimensional Transistors,

Advanced Science 10, 2303734 (2023).


Impact Factor: 17.521

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  136. (2023p) Zhao-Yi Yan, Zhan Hou, Fan Wu, Ruiting Zhao, Jianlan Yan, Anzhi Yan, Zhenze Wang, Kan-Hao Xue*, Houfang Liu*, He Tian*, Yi Yang*, and Tian-Ling Ren*,

A drain current formula for two-dimensional field-effect transistors with one-shot convergence algorithm,

2D Materials 10, 045026 (2023).


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  135. (2023o) Pu Ai, Fengjun Yan, Wen Dong*, Shi Liu, Junlei Zhao, Kan-Hao Xue, Syed Ul Hasnain Bakhtiar, Yilong Liu, Qi Ma, Ling Miao, Mengyuan Hua, Guangzu Zhang, Shenglin Jiang, Wei Luo, and Qiuyun Fu*,

Point-defect-driven flattened polar phonon bands in fluorite ferroelectrics,

npj Computational Materials 9, 119 (2023).


Impact Factor: 12.256

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  134. (2023n) Zhe Yang, Ziyan Yang, Long Liu, Xin Li, Junze Li, Changying Xiong, Xianliang Mai, Hao Tong, Yi Li, Kan-Hao Xue, Xiaoyong Xue, Ming Xu*, Dehui Li, Peng Zhou*, and Xiangshui Miao*,

Anisotropic mass transport enables distinct synaptic behaviors on 2D material surface,

Materials Today Electronics 5, 100047 (2023).


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  133. (2023m) Tong Jin, Zheng Liu, Jiajun Luo, Jun-Hui Yuan, Hanqi Wang, Zuoxiang Xie, Weicheng Pan, Haodi Wu, Kan-Hao Xue*, Linyue Liu, Zhanli Hu, Zhiping Zheng, Jiang Tang, and Guangda Niu*,

Self-wavelength shifting in two-dimensional perovskite for sensitive and fast gamma-ray detection,

Nature Communications 14, 2808 (2023).


Impact Factor: 17.694

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  132. (2023l) Jinhai Huang, Ge-Qi Mao, Kan-Hao Xue*, Shengxin Yang, Fan Ye, Huajun Sun, and Xiangshui Miao,

Impact of Zr substitution on the electronic structure of ferroelectric hafnia,

Journal of Applied Physics 133, 184101 (2023).


Impact Factor: 2.877

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  131. (2023k) Xinyu Huang, Luman Zhang, Lei Tong, Zheng Li, Zhuiri Peng, Runfeng Lin, Wenhao Shi, Kan-Hao Xue, Hongwei Dai, Hui Cheng, Danilo de Camargo Branco, Jianbin Xu, Junbo Han*, Gary J. Cheng*, Xiangshui Miao*, and Lei Ye*,

Manipulating exchange bias in 2D magnetic heterojunction for high-performance robust memory applications,

Nature Communications 14, 2190 (2023).


Impact Factor: 17.694

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  130. (2023j) Junhui Yuan, Kanhao Xue*, Xiangshui Miao, and Lei Ye*,

A family of flexible two-dimensional semiconductors: MgMX2Y6 (M = Ti/Zr/Hf; X = Si/Ge; Y = S/Se/Te),

Journal of Semiconductors 44, 042101 (2023).


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  129. (2023i) Ge-Qi Mao, Jun-Hui Yuan, Kan-Hao Xue*, Jinhai Huang, Shengxin Yang, and Xiangshui Miao,

In search of Pca21 phase ferroelectrics,

Journal of Physics: Materials 6, 024001 (2023).


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  128. (2023h) Jun-Hui Yuan, Yun-Lai Zhu, Wen-Yu Fang, Sheng-Xin Yang, Kan-Hao Xue*, Na Bai, Lei Ye*, Xiaomin Cheng*, and Xiangshui Miao,

Two-Dimensional AMgB (A = Na, K; B = P, As, Sb, Bi) with Promising Optoelectronic and Thermoelectric Performances,

ACS Applied Electronic Materials 5, 1405 (2023).


Impact Factor: 4.494

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  127. (2023g) Hanli Cui, Shengxin Yang, Kan-Hao Xue*, Jinhai Huang, and Xiangshui Miao,

On the self-consistency of DFT-1/2,

Journal of Chemical Physics 158, 094103 (2023).


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  126. (2023f) Fan Ye, Kan-Hao Xue*, Heng Yu, Shengxin Yang, Jun-Hui Yuan, Rongchuan Gu, Ming Xu, and Xiangshui Miao,

In quest of low©\leakage dynamic random access memory enabled by doped TiO2 dielectrics,

Advanced Theory and Simulations 6, 2200614 (2023).


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  125. (2023e) Xueqiang Xiang, Li-Heng Li, Chen Chen, Guangwei Xu*, Fangzhou Liang, Pengju Tan, Xuanze Zhou, Weibing Hao, Xiaolong Zhao, Haiding Sun, Kan-Hao Xue, Nan Gao*, and Shibing Long,

Unintentional doping effect in Si-doped MOCVD ¦Â-Ga2O3 films: Shallow donor states,

Science China Materials 66, 748 (2023).


Impact Factor: 8.640

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  124. (2023d) Jun-Hui Yuan*, Kan-Hao Xue*, and Xiangshui Miao,

Two-dimensional ABC3 (A = Sc, Y; B = Al, Ga, In; C = S, Se, Te) with intrinsic electric field for photocatalytic water splitting,

International Journal of Hydrogen Energy 48, 5929 (2023).


Impact Factor: 7.139

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  123. (2023c) Jun-Hui Yuan, Ge-Qi Mao, Kan-Hao Xue*, Na Bai, Chengxu Wang, Yan Cheng, Hangbing Lyu, Huajun Sun, Xingsheng Wang, and Xiangshui Miao,

Ferroelectricity in HfO2 from a Coordination Number Perspective,

Chemistry of Materials 35, 94 (2023).


Impact Factor: 10.508

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  122. (2023b) Na Bai, Kan-Hao Xue*, Jinhai Huang, Jun-Hui Yuan, Wenlin Wang, Ge-Qi Mao, Lanqing Zou, Shengxin Yang, Hong Lu, Huajun Sun*, and Xiangshui Miao,

Designing Wake-Up Free Ferroelectric Capacitors Based on the HfO2/ZrO2 Superlattice Structure,

Advanced Electronic Materials 9, 2200737 (2023).


Impact Factor: 7.633

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  121. (2023a) Hua-Nan Liang, Na Bai, Lan-Qing Zou, Hua-Jun Sun*, Kan-Hao Xue, Wei-Ming Cheng, Hong Lu, and Xiang-Shui Miao,

Resistive Switching Characteristics of HfOx-Based Memristor by Inserting GeTe Layer,

IEEE Transactions on Electron Devices 70, 83 (2023).


Impact Factor: 3.221

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  120. (2022s) Hanli Cui, Jun-Hui Yuan*, Kan-Hao Xue, and Xiangshui Miao,

Tuning the Electronic and Mechanical Properties of Kagome Graphene via Hydrogenation,

Journal of Physical Chemistry C 126, 21426 (2022).


Impact Factor: 4.177

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  119. (2022r) Qing Wan*, Changjin Wan*, Huaqiang Wu, Yuchao Yang, Xiaohe Huang, Peng Zhou, Lin Chen, Tian-Yu Wang, Yi Li, Kan-Hao Xue, Yu-Hui He, Xiang-Shui Miao, Xi Li, Chenchen Xie, Houpeng Chen, Zhitang Song, Hong Wang, Yue Hao, Junyao Zhang, Jia Huang, Zheng Yu Ren, Li Qiang Zhu, Jianyu Du, Chen Ge, Yang Liu, Guanglong Ding, Ye Zhou, Su-Ting Han, Guosheng Wang, Xiao Yu, Bing Chen, Zhufei Chu, Lunyao Wang, Yinshui Xia, Chen Mu, Feng Lin, Chixiao Chen, Bojun Cheng, Yannan Xing, Weitao Zeng, Hong Chen, Lei Yu, Giacomo Indiveri, and Ning Qiao,

2022 roadmap on neuromorphic devices and applications research in China,

Neuromorphic Computing and Engineering 2, 042501 (2022).


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  118. (2022q) Nan Feng, Jian Han, Changpeng Lin, Zhengwei Ai, Chuwen Lan, Ke Bi*, Yuanhua Lin, Kan-Hao Xue*, and Ben Xu*,

Anti-Jahn-Teller effect induced ultrafast insulator to metal transition in perovskite BaBiO3,

npj Computational Materials 8, 226 (2022).


Impact Factor: 12.256

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  117. (2022p) Xiaoxin Liu, Lanqing Zou, Chenyang Huang, Na Bai, Kanhao Xue, Huajun Sun*, and Xiangshui Miao,

Analog Memristor-Based Dynamic Programmable Analog Filter,

Journal of Physics: Conference Series 2356, 012008 (2022).


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  116. (2022o) Li Li, Zuopai Zhou, Na Bai, Tao Wang, Kan-Hao Xue, Huajun Sun*, Qiang He, Weiming Cheng, and Xiangshui Miao,

Naive Bayes classifier based on memristor nonlinear conductance,

Microelectronics Journal 129, 105574 (2022).


Impact Factor: 1.992

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  115. (2022n) Li Yao*, Kan-Hao Xue*, Haoyu Tong, Chao Chen, Guangda Niu, Wenlong Yang, and Jiang Tang,

Dimensional Control of Chiral Antimony Halide Compounds for Enhanced Circular Dichroism,

Crystal Growth & Design 22, 5552 (2022).


Impact Factor: 4.010

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  114. (2022m) Li-Heng Li, Kan-Hao Xue*, Jun-Hui Yuan, Ge-Qi Mao, and Xiangshui Miao,

Hafnia for analog memristor: Influence of stoichiometry and crystalline structure,

Physical Review Materials 6, 084603 (2022).


Impact Factor: 3.98

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  113. (2022l) Xinyu Huang, Liheng Li, Shuaifei Zhao, Lei Tong, Zheng Li, Zhuiri Peng, Runfeng Lin, Li Zhou, Chang Peng, Kan-Hao Xue, Lijuan Chen, Gary J. Cheng*, Zhu Xiong*, and Lei Ye*,

MOF-Like 3D Graphene-Based Catalytic Membrane Fabricated by One-Step Laser Scribing for Robust Water Purification and Green Energy Production,

Nano-Micro Letters 14, 174 (2022).


Impact Factor: 23.655

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  112. (2022k) Shengxin Yang, Xiaobi Wang, Yongfeng Liu, Jia Wu, Wenhong Zhou, Xiangshui Miao, Li Huang*, and Kan-Hao Xue*,

Enabling ab initio material design of InAs/GaSb superlattices for infrared detection,

Physical Review Applied 18, 024058 (2022).


Impact Factor: 4.931

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  111. (2022j) Ge-Qi Mao, Zhao-Yi Yan, Kan-Hao Xue*, Zhengwei Ai, Shengxin Yang, Hanli Cui, Jun-Hui Yuan, Tian-Ling Ren, and Xiangshui Miao,

DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity,

Journal of Physics: Condensed Matter 34, 403001 (2022).


Impact Factor: 2.745

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  110. (2022i) Yiqin Gong, Fan Ye, Qiliang Zhu, Wei Yan, Jianhua Shen*, Kan-Hao Xue*, Yihua Zhu*, and Chunzhong Li,

Highly stable halide perovskites for photocatalysis via multi-dimensional structure design and in situ phase transition,

Dalton Transactions 51, 11316 (2022).


Impact Factor: 4.569

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  109. (2022h) Hanli Cui, Shengxin Yang, Jun-Hui Yuan*, Li-Heng Li, Fan Ye, Jinhai Huang, Kan-Hao Xue*, and Xiangshui Miao,

Shell DFT-1/2 method towards engineering accuracy for semiconductors: GGA versus LDA,

Computational Materials Science 213, 111669 (2022).


Impact Factor: 3.572

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  108. (2022g) Chengxu Wang, Ge-Qi Mao, Menghua Huang, Enming Huang, Zichong Zhang, Junhui Yuan, Weiming Cheng, Kan-Hao Xue, Xingsheng Wang*, and Xiangshui Miao,

HfOx/AlOy Superlattice-Like Memristive Synapse,

Advanced Science 9, 2201446 (2022).


Impact Factor: 17.521

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Copyright (2022) the authors, published by John Wiley & Sons, Inc., NJ, USA. This article is an OPEN ACCESS article and may be found at https://onlinelibrary.wiley.com/doi/10.1002/advs.202201446.
 
     
  107. (2022f) Yi-Fan Lu, Hao-Yang Li, Yi Li*, Li-Heng Li, Tian-Qing Wan, Ling Yang, Wen-Bing Zuo, Kan-Hao Xue, and Xiang-Shui Miao,

A High-Performance Ag/TiN/HfOx/HfOy/HfOx/Pt Diffusive Memristor for Calibration-Free True Random Number Generator,

Advanced Electronic Materials 8, 202200202 (2022).


Impact Factor: 7.633

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  106. (2022e) Zhao-Yi Yan, Kan-Hao Xue*, Zhan Hou, Yang Shen, He Tian, Yi Yang, and Tian-Ling Ren*,

Quasi-Fermi-Level Phase Space and its Applications in Ambipolar Two-Dimensional Field-Effect Transistors,

Physical Review Applied 17, 054027 (2022).


Impact Factor: 4.931

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  105. (2022d) Peng Yuan, Ge-Qi Mao, Yan Cheng, Kan-Hao Xue*, Yunzhe Zheng, Yang Yang, Pengfei Jiang, Yannan Xu, Yuan Wang, Yuhao Wang, Yaxin Ding, Yuting Chen, Zhiwei Dang, Lu Tai, Tiancheng Gong, Qing Luo*, Xiangshui Miao, and Qi Liu,

Microscopic mechanism of imprint in hafnium oxide-based ferroelectrics,

Nano Research 15, 3667 (2022).


Impact Factor: 10.269

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  104. (2022c) Chaochen Wang, Fan Ye, Jianhua Shen*, Kan-Hao Xue*, Yihua Zhu*, and Chunzhong Li,

In situ loading of Cu2O active sites on island-like copper for efficient electrochemical reduction of nitrate to ammonia,

ACS Applied Materials & Interfaces 14, 6680 (2022).


Impact Factor: 10.383

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  103. (2022b) Yan Cheng, Zhaomeng Gao, Kun Hee Ye, Hyeon Woo Park, Yonghui Zheng, Yunzhe Zheng, Jianfeng Gao, Min Hyuk Park, Jung-Hae Choi, Kan-Hao Xue, Cheol Seong Hwang*, and Hangbing Lyu*,

Reversible transition between the polar and antipolar phases and its implications for wake-up and fatigue in HfO2-based ferroelectric thin film,

Nature Communications 13, 645 (2022).


Impact Factor: 17.694

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  102. (2022a) Sheng-Guang Ren, Run Ni, Xiao-Di Huang, Yi Li*, Kan-Hao Xue, and Xiang-Shui Miao,

Pt/Al2O3/TaOX/Ta Self-Rectifying Memristor With Record-Low Operation Current (<2 pA), Low Power (fJ), and High Scalability,

IEEE Transactions on Electron Devices 69, 838 (2022).


Impact Factor: 3.221

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