PWmat Paper2021 - 龙讯旷腾

龙讯旷腾

PWmat相关文献

2021
1	Haoyi Wu, Junhao Peng, Huangcheng Sun, Qiushi Ruan, Huafeng Dong, Yahong Jin, Zhengming Sun, Yihua Hu	Surface activation of calcium tungstate by europium doping for improving photocatalytic performance: Towards lanthanide site photocatalysis	Chemical Engineering Journal 2021, 134339
2	Shengliu Sun, Wenqi Huang, Lixin Zhang, Zhenyu Chen, Hao Wang, Chunqian Zhang	Band and luminescence regulation of SiGeSn ternary alloy: A first-principles investigation	Journal of Alloys and Compounds Volume 899, 5 April 2022, 163339
3	Jie Li, Zhangyu Zhou, Hui Xu, Cheng Wang, Shinichi Hata, Zhongxu Dai, Yukihide Shiraishi, Yukou Du	In Situ Nanopores Enrichment of Mesh-like Palladium Nanoplates for Bifunctional Fuel Cell Reactions: A Joint Etching Strategy	Journal of Colloid and Interface Science. 2021
4	Xiaolei Ma, Yue-Yang Liu, Lang Zeng, Jiezhi Chen, Runsheng Wang, Lin-Wang Wang, Yanqing Wu, and Xiangwei Jiang*	Defects Induced Charge Trapping/Detrapping and Hysteresis Phenomenon in MoS2 Field-Effect Transistors: Mechanism Revealed by Anharmonic Marcus Charge Transfer Theory	ACS Appl. Mater. Interfaces 2021
5	Weifeng Zhang, Biyi Xu, Longhai Zhang, Wei Li, Shulian Li, Jiaxi Zhang, Guoxing Jiang, Zhiming Cui, Huiyu Song, Nicholas Grundish, Kaixiang Shi, Bingkai Zhang, Yan Fan, Feng Pan, Quanbing Liu, Li Du	Co4N‐Decorated 3D Wood‐Derived Carbon Host Enables Enhanced Cathodic Electrocatalysis and Homogeneous Lithium Deposition for Lithium–Sulfur Full Cells	Small (2021): 2105664
6	Wen-Hao Liu, Jun-Wei Luo, Shu-Shen Li, and Lin-Wang Wang	Dynamic short-range correlation in photoinduced disorder phase transitions	arXiv preprint arXiv:2111.13480, 2021
7	Wenwu Shi , Nina Ge , Xinzhong Wang and Zhiguo Wang	Thermoelectric Performance of ZrNX (X = Cl, Br, I) Monolayers	Physical Chemistry Chemical Physics, 2021
8	GuopingGao， Lin-WangWang	A potential and pH inclusive microkinetic model for hydrogen reactions on Pt surface	Chem Catalysis, 2021, 1(6) : 1331-1345
9	Stefan Ringe	Approaching in-depth mechanistic understanding of electrochemical hydrogen conversion from computational simulations	Chem Catalysis, 2021, 1(6): 1160-1162
10	Min Yan, Lakshitha Jasin Arachchige, Ani Dong, Xiao Li Zhang, Zhongxu Dai, and Chenghua Sun*	Rational Design of Graphene-Supported Single-Atom Catalysts for Electroreduction of Nitrogen	Inorg. Chem. November 17, 2021
11	Guiji Liu, Fan Zheng, Junrui Li, Guosong Zeng, Yifan Ye, David M. Larson, Junko Yano, Ethan J. Crumlin, Joel W. Ager, Lin-wang Wang & Francesca M. Toma	Investigation and mitigation of degradation mechanisms in Cu2O photoelectrodes for CO2 reduction to ethylene	Nature Energy, 2021
12	Rong Yang, Evgenii Tikhonov, Congwei Xie, Shilie Pan, and Zhihua Yang	Coordination-Directed Structural Modulation and Design of Deep-Ultraviolet Nonlinear Optical Materials	J. Phys. Chem. C 2021
13	Yuxiang Gu,Lin Shi,Jun-Wei Luo,Shu-Shen Li,Lin-Wang Wang	Directly confirming the Z1/2 center as the electron trap in SiC through accessing the non-radiative recombination	physica status solidi (RRL)–Rapid Research Letters. 2021
14	Yangyang Ju,Xian-gang Wu,Sheng Huang,Guang Dai,Tinglu Song,Haizheng Zhong*	The Evolution of Photoluminescence Properties of PEA2SnI4 Upon Oxygen Exposure: Insight into Concentration Effects	Adv. Funct. Mater. 2021, 2108296
15	Wen-Hao Liu,Zhi Wang,Zhang-Hui Chen,Jun-Wei Luo,Shu-Shen Li,Lin-Wang Wang	Algorithm advances and applications of time-dependent first-principles simulations for ultrafast dynamics	Wiley Interdisciplinary Reviews
16	Yue-Yang Liu, Zhongming Wei, Sheng Meng, Runsheng Wang, Xiangwei Jiang, Ru Huang, Shu-Shen Li, and Lin-Wang Wang	Electronically induced defect creation at semiconductor/oxide interface revealed by time-dependent density functional theory	Phys. Rev. B 2021, 104, 11-15(115310)
17	Bingheng Ji, Elizabeth Guderjahn, Kui Wu, Tajamul Hussain Syed, Wei Wei, Bingbing Zhang and Jian Wang	Revisiting Thiophosphate Pb3P2S8: A Multifunctional Material Combining a Nonlinear Optical Response and Photocurrent Response	Phys. Chem. Chem. Phys., 2021
18	Shiyu Ma, Youcai Lu, Hongchang Yao, Yubing Si, Qingchao Liu, Zhongjun Li	Regulating the nucleation of Li2CO3 and C by anchoring Li-containing carbonaceous species towards high performance Li-CO2 batteries	Journal of Energy Chemistry. 2022, 65, 472-479
19	Rui Xiong, Rong Hu, Yinggan Zhang, Xuhui Yang, Peng Lin, Cuilian Wen, Baisheng Sa and Zhimei Sun	Computational discovery of PtS2/GaSe van der Waals heterostructure for solar energy applications	Physical Chemistry Chemical Physics. 2021
20	Yilun Huang, Mouyi Weng, Qianming Gong, Kai Du, Dazhi Wang, Shijun Zhang, Changjiang Wu, Ming Zhao, Daming Zhuang, Hongwei Zhu, and Ce-wen Nan	Degeneration of Key Structural Components Resulting in Ageing of Supercapacitors and the Related Chemical Ageing Mechanism	ACS Appl. Mater. Interfaces. 2021
21	Zhiming Shi, Zhanbin Qi, Hang Zang, Ke Jiang, Yang Chen, Yuping Jia, Tong Wu, Shanli Zhang, Xiaojuan Sun, and Dabing Li	Point Defects in Monolayer h-AlN as Candidates for Single-Photon Emission	ACS Appl. Mater. Interfaces 2021
22	Chaofang Dong*, Yucheng Ji, Xin Wei, Aoni Xu, Dihao Chen, Ni Li, Decheng Kong, Xiejing Luo, Kui Xiao, Xiaogang Li	Integrated computation of corrosion: Modelling, simulation and applications	Corrosion Communications (2021), doi: https://doi.org/10.1016/j.corcom.2021.07.001
23	Ning Du, Yingqi Cui, Li Zhang, and Mingli Yang*	First-Principles Study of the Electron–Hole Recombination Rate at the Interface of the CdSe Quantum Dot and TiO2 Substrate	J. Phys. Chem. C, 2021
24	Yibing Sun, Ruiping Li, Chunli Song, Hao Zhang, Yingchun Cheng, Anmin Nie, Hongchao Li, Dionysios D.Dionysiou, Jieshu Qian*, Bingcai Pan	Origin of the Improved Reactivity of MoS2 Single Crystal by Confining Lattice Fe Atom in Peroxymonosulfate-based Fenton-like Reaction	Applied Catalysis B: Environmental , 2021, 120537
25	Yupeng Xiao, Ying Lia, Zhonglu Guo, Chengchun Tang, Baisheng Sa, Naihua Miao, Jian Zhou, Zhimei Sun	Functionalized Mo2B2 MBenes: Promising anchoring and electrocatalysis materials for Lithium-Sulfur battery	Applied Surface Science, 566, 150634
26	Pengpeng Sang, Qianwen Wang, Wei Wei, Fei Wang, Yuan Li, and Jiezhi Chen	Semiconducting Silicene: A Two-Dimensional Silicon Allotrope with Hybrid Honeycomb-Kagome Lattice	ACS Materials Lett. 2021, 3, 1181–1188
27	Zhigang Song, Xiaotian Sun, and Lin-Wang Wang	Eshelby-twisted three-dimensional moiré superlattices	Phys. Rev. B. 2021, 103, 245206
28	Lixuan Liu, Kun Ye, Changqing Lin, Zhiyan Jia, Tianyu Xue, Anmin Nie, Yingchun Cheng, Jianyong Xiang, Congpu Mu, Bochong Wang, Fusheng Wen, Kun Zhai, Zhisheng Zhao, Yongji Gong, Zhongyuan Liu & Yongjun Tian	Grain-boundary-rich polycrystalline monolayer WS2 film for attomolar-level Hg2+ sensors	Nature Communications. 2021, 12, 3870.
29	Pu Huang, Xinbo Chen, Peng Zhang, Hongyi Sun, Shaogang Xu, Wen Xiong, Rui Wang, Han Zhang, Qihang Liu* & Xiuwen Zhang*	Crystalline chirality and interlocked double hourglass Weyl fermion in polyhedra-intercalated transition metal dichalcogenides	NPG Asia Materials. 2021, 13, 49.
30	Sicheng Song, Yiwei Li, Kai Yang, Zhefeng Chen, Jiajie Liu, Rui Qi, Zhibo Li, Changjian Zuo, Wenguang Zhao, Ni Yang, Mingjian Zhang* and Feng Pan*	Interplay between multiple doping elements in high-voltage LiCoO2	JOURNAL OF MATERIALS CHEMISTRY A. 2021, 9, 9(5702-5710)
31	Xingwang Lan, Xiaopeng Liu, Yize Zhang, Qing Li, Juan Wang, Qianfan Zhang, Guoyi Bai	Unveiling Charge Dynamics in Acetylene-Bridged Donor−π–Acceptor Covalent Triazine Framework for Enhanced Photoredox Catalysis	ACS Catal. 2021, 11, 7429–7441
32	Dan Guo, Chen Qiu, Kaike Yang, Hui-Xiong Deng*	Nonradiative Carrier Recombination Enhanced by Vacancy Defects in Ionic II-VI Semiconductors	PHYSICAL REVIEW APPLIED 15, 064025 (2021)
33	Yixuan Li, Fubo Tian, Qingyan Zhou, Mengxin Yang, Youchun Wang, Changmin Shi, Xiaoli Wang*	The new valence state [Ga]−5 in Li-Ga-Te system under high pressure	Solid State Communications. 2021, 336, 114402
34	Dihao Chen, Chaofang Dong*, Yuan Ma, Yucheng Ji, Lei Gao, Xiaogang Li	Revealing the inner rules of PREN from electronic aspect by first-principles calculations	Corrosion Science, 2021, 189(109561)
35	Kelong Lu, Chengjin Shen, Yezeng He, Sheng Huang, Ya'er Ba	Effect of solute elements (Cr, Mo, Fe, Co) on the adhesion properties of WC/Ni-based binder interface: A first-principles study	International Journal of Refractory Metals and Hard Materials. 2021, 105563.
36	Haotian Jiang, Sheng Huang, Zining Li, Tinglu Song, Yu Chen*, and Haizheng Zhong	Nondestructive and Controllable Anion Exchange of Halide Perovskite Films through Finkelstein Reaction	J. Phys. Chem. C
37	Fei Wang, Yuan Li, Xiaolei Ma and Jiezhi Chen	Charge Loss Induced by Defects of Transition Layer in Charge-Trap 3D NAND Flash Memory	IEEE Access, 2021, 9: 47391 - 47398.
38	Ximing Rong, Xinbo Chen, Weida Chen, Yiguo Xu, Pu Huang, and Xiuwen Zhang	Electrical Switch of Poisson’s Ratio in IV–VI Monolayers via Pseudophase Transitions	J. Phys. Chem. Lett. March 24, 2021
39	Wen-Hao Liu, Jun-Wei Luo, Shu-Shen Li, and Lin-Wang Wang	The critical role of hot carrier cooling in optically excited structural transitions	npj Computational Materials volume 7, Article number: 117 (2021)
40	Peng Dong; Xiaolan Yan; Lin Zhang; Shangjie Jin; Fang Dai; Ying Zhanga; Yingxin Cui; Xuegong Yu; Bing Huang	Relating gain degradation to defects production in neutron irradiated 4H-SiC transistors	IEEE Transactions on Nuclear Science ; 03 February 2021
41	Jianyuan Li, Cong Lin, Mouyi Weng, Yi Qiu, Pohua Chen, Kai Yang, Weiyuan Huang, Yuexian Hong, Jian Li, Mingjian Zhang, Cheng Dong, Wenguang Zhao, Zhi Xu, Xi Wang, Kang Xu, Junliang Sun & Feng Pan	Structural origin of the high-voltage instability of lithium cobalt oxide	Nature Nanotechnology, 22 February 2021
42	Zhao Du，Lang Feng，Zhonglu Guo，Tongqi Yan，Qi Hua，Jing Lin，Yang Huang，Chengchun Tang，Yi Fang	Ultrathin h-BN/Bi2MoO6 heterojunction with synergetic effect for visible-light photocatalytic tetracycline degradation	Journal of Colloid and Interface Science Volume 589, May 2021, Pages 545-555
43	Kui Wang，Qun Jing，Zhenzhen Wan，Ming-HsienLee，Haiming Duan，Haibin Cao，JunZhangXudong Leng, Xiuhua Cui, Haiming Duan, Ming-Hsien Lee, Haibin Cao, Qun Jing	Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation	Journal of Solid State Chemistry Volume 297, May 2021, 122038
44	Yanling Zhang, Xiaozhu Hao, Yanping Huang, Fubo Tian*, Da Li, Youchun Wang, Hao Song, and Defang Duan	Structural and Electrical Properties of Be𝑥Zn1−𝑥O Alloys under High Pressure	CHIN. PHYS. LETT. Vol. 38, No. 2 (2021) 026101
45	Yijia Liu , Gengxin Zhang, Junben Huang, Xiaoma Tao, Guihua Li, and Gemei Cai*	Daylight-White-Emitting and Abnormal Thermal Antiquenching Phosphors Based on a Layered Host SrIn2(P2O7)2	Inorg. Chem. January 29, 2021
46	Ying Li，Dongyue Gao，Shihui Zhao，Yupeng Xiao，Zhonglu Guo，Yi Fang，Jing Lin，Zhenya Liu，Yang Huang，Kai Guo，Chengchun Tang	Carbon Doped Hexagonal Boron Nitride Nanoribbon as Efficient Metal-Free Electrochemical Nitrogen Reduction Catalyst	Chemical Engineering Journal， 7 January 2021
47	Zilong Chen, Junwei Feng, Bin Dai and Feng Yu	NaKB6O9F2: a new complex alkali metal fluorooxoborate with (_∞^2)[B_6 O_9 F_2 ]^(2-) puckered layers	New Journal of Chemistry；04 Jan 2021
48	Xiaotian Hu, Xiangchuan Meng, Xia Yang, Zengqi Huang, Zhi Xing, Pengwei Li, Licheng Tan, Meng Su, Fengyu Li, Yiwang Chen, Yanlin Song	Cementitious grain-boundary passivation for flexible perovskite solar cells with superior environmental stability and mechanical robustness	Science Bulletin. 2021, 66, 6(527-535)
49	Ning Du , Yingqi Cui , Li Zhang and Mingli Yang	Effect of Mn doping on the electron injection in CdSe/TiO2 quantum dot sensitized solar cells	Phys. Chem. Chem. Phys., 2021, 23, 647-656
50	Xin He，Zhimeng Liu，Guoping Gao，Xiaotao Liu，Michal Swietoslawski，Jun Feng，Gao Liu，Lin-Wang Wang，Robert Kostecki*	Revealing the working mechanism of a multi-functional block copolymer binder for lithium-sulfur batteries	Journal of Energy Chemistry. 2021, 59, 1-8
51	Pengpeng Sang，Xiaolei Ma，Qianwen Wang，Wei Wei，Fei Wang，Jixuan Wu，Xuepeng Zhan，Yuan Li，Jiezhi Chen	Toward high-performance monolayer graphdiyne transistor: Strain engineering matters	Applied Surface Science. 2021, 536, 15(147836)
52	Lijun Geng, Mouyi Weng, Cong-Qiao Xu, Hanyu Zhang, Chaonan Cui, Haiming Wu, Xin Chen, Mingyu Hu, Hai Lin, Zhen-Dong Sun, Xi Wang, Han-Shi Hu, Jun Li, Jiaxin Zheng, Zhixun Luo, Feng Pan, Jiannian Yao	Co13O8—Metalloxocubes: A new class of perovskite-like neutral clusters with cubic aromaticity	National Science Review,29 August 2020 National Science Review. 2021, 8, 1.

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