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1

Polarization Driven Covalently-Bonded Octahedral-Twinning and Backbone-Peripheral-Helical Nanoarchitectures

Han, Xiaodong, Zheng, Shanliang, Zhang, Yuefei, Zheng, Kun, Zhang, Shengbai, Zhang, Ze, Zhang, Xiaona, Liu, Xianqiang, Chen, Gang, Hao, Yajuan, Guo, Xiangyun

Journal:

Year:

2008

Language:

english

File:

PDF, 3.15 MB

english, 2008

2

Machine Learning Augmented Discovery of Chalcogenide Double Perovskites for Photovoltaics

L. Agiorgousis, Michael, Sun, Yi‐Yang, Choe, Duk‐Hyun, West, Damien, Zhang, Shengbai

Journal:

Advanced Theory and Simulations

Year:

2019

Language:

english

File:

PDF, 1.18 MB

english, 2019

3

A Nanoscale Jigsaw-Puzzle Approach to Large π-Conjugated Systems

Dr. Xingfa Gao, Prof. Dr. Shengbai B. Zhang, Prof. Dr. Yuliang Zhao, Prof. Dr. Shigeru Nagase

Journal:

Angewandte Chemie

Year:

2010

Language:

english

File:

PDF, 477 KB

english, 2010

4

Graphene Oxide as an Ideal Substrate for Hydrogen Storage

Wang, Lu, Lee, Kyuho, Sun, Yi-Yang, Lucking, Michael, Chen, Zhongfang, Zhao, Ji Jun, Zhang, Shengbai B.

Journal:

Year:

2009

Language:

english

File:

PDF, 353 KB

english, 2009

5

Chalcogenide Perovskites for Photovoltaics

Sun, Yi-Yang, Agiorgousis, Michael L., Zhang, Peihong, Zhang, Shengbai

Journal:

Year:

2015

Language:

english

File:

PDF, 1.22 MB

english, 2015

6

Hydrogen Storage in Novel Carbon-Based Nanostructured Materials

Whitney, Erin S., Curtis, Calvin J., Engtrakul, Chaiwat, Davis, Mark F., Su, Tining, Parilla, Philip A., Simpson, Lin J., Blackburn, Jeffry L., Zhao, Yufeng, Kim, Yong-Hyun, Zhang, Shengbai B., Heben,

Journal:

MRS Proceedings

Year:

2006

Language:

english

File:

PDF, 221 KB

english, 2006

7

Graphene oxide: A promising nanomaterial for energy and environmental applications

Li, Fen, Jiang, Xue, Zhao, Jijun, Zhang, Shengbai

Journal:

Year:

2015

Language:

english

File:

PDF, 10.26 MB

english, 2015

8

Nanostructured Carbon Allotropes with Weyl-like Loops and Points

Chen, Yuanping, Xie, Yuee, Yang, Shengyuan A., Pan, Hui, Zhang, Fan, Cohen, Marvin L., Zhang, Shengbai

Journal:

Year:

2015

Language:

english

File:

PDF, 2.40 MB

english, 2015

9

Chalcogenide perovskites – an emerging class of ionic semiconductors

Perera, Samanthe, Hui, Haolei, Zhao, Chuan, Xue, Hongtao, Sun, Fan, Deng, Chenhua, Gross, Nelson, Milleville, Chris, Xu, Xiaohong, Watson, David F., Weinstein, Bernard, Sun, Yi-Yang, Zhang, Shengbai,

Journal:

Year:

2016

Language:

english

File:

PDF, 2.65 MB

english, 2016

10

On the applicability of hybrid functionals for predicting fundamental properties of metals

Gao, Weiwei, Abtew, Tesfaye A., Cai, Tianyi, Sun, Yi-Yang, Zhang, Shengbai, Zhang, Peihong

Journal:

Solid State Communications

Year:

2016

Language:

english

File:

PDF, 673 KB

english, 2016

11

Theoretical Insights into the Structures of Graphene Oxide and Its Chemical Conversions Between Graphene

Gao, Xingfa, Jiang, De-en, Zhao, Yuliang, Nagase, Shigeru, Zhang, Shengbai, Chen, Zhongfang

Journal:

Journal of Computational and Theoretical Nanoscience

Year:

2011

Language:

english

File:

PDF, 25.22 MB

english, 2011

12

Heteroepitaxy of large grain Ge film on cube-textured Ni(001) foils through CaF2 buffer layer

Chen, Liang, Xie, Weiyu, Wang, Gwo-Ching, Bhat, Ishwara, Zhang, Shengbai, Goyal, Amit, Lu, Toh-Ming

Journal:

Thin Solid Films

Year:

2016

Language:

english

File:

PDF, 1.46 MB

english, 2016

13

S-TiO2 with enhanced visible-light photocatalytic activity derived from TiS2 in deionized water

Wang, Fang, Li, Feng, Zhang, Lifang, Zeng, Hao, Sun, Yiyang, Zhang, Shengbai, Xu, Xiaohong

Journal:

Materials Research Bulletin

Year:

2017

Language:

english

File:

PDF, 2.01 MB

english, 2017

14

Intercalated Chevrel Phase Mo 6 S 8 as a Janus Material for Energy Generation and Storage

Agiorgousis, Michael L., Sun, Yi-Yang, West, Damien J., Zhang, ShengBai

Journal:

ACS Applied Energy Materials

Year:

2018

Language:

english

File:

PDF, 1.03 MB

english, 2018

15

Elemental Ferroelectricity and Antiferroelectricity in Group-V Monolayer

Xiao, Chengcheng, Wang, Fang, Yang, Shengyuan A., Lu, Yunhao, Feng, Yuanping, Zhang, Shengbai

Journal:

Advanced Functional Materials

Year:

2018

Language:

english

File:

PDF, 2.25 MB

english, 2018

16

A class of topological nodal rings and its realization in carbon networks

Gao, Yan, Chen, Yuanping, Xie, Yuee, Chang, Po-Yao, Cohen, Marvin L., Zhang, Shengbai

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 1.39 MB

english, 2018

17

Enhancing the ambient stability of few-layer black phosphorus by surface modification

Lei, Shuang-Ying, Shen, Hai-Yun, Sun, Yi-Yang, Wan, Neng, Yu, Hong, Zhang, Shengbai

Journal:

Year:

2018

Language:

english

File:

PDF, 1.26 MB

english, 2018

18

Enhanced Light Emission from the Ridge of Two-Dimensional InSe Flakes

Li, Yang, Wang, Tianmeng, Wang, Han, Li, Zhipeng, Chen, Yanwen, West, Damien, Sankar, Raman, Ulaganathan, Rajesh K., Chou, Fangcheng, Wetzel, Christian, Xu, Cheng-Yan, Zhang, Shengbai, Shi, Su-Fei

Journal:

Year:

2018

Language:

english

File:

PDF, 1.21 MB

english, 2018

19

Machine Learning Augmented Discovery of Chalcogenide Double Perovskites for Photovoltaics

Agiorgousis, Michael L., Sun*, YiâYang, Choe, DukâHyun, West, Damien, Zhang*, Shengbai

Journal:

Advanced Theory and Simulations

Year:

2020

File:

PDF, 105 KB

2020

20

Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene

Jiang, Zeyu, Lou, Wenkai, Liu, Yu, Li, Yuanchang, Song, Haifeng, Chang, Kai, Duan, Wenhui, Zhang, Shengbai

Journal:

Physical Review Letters

Year:

2020

File:

PDF, 641 KB

2020

21

Quantum anomalous Hall effect in two-dimensional Cudicyanobenzene coloring-triangle lattice

Gao, Yixuan, Zhang, Yu-Yang, Sun, Jia-Tao, Zhang, Lizhi, Zhang, Shengbai, Du, Shixuan

Journal:

Year:

2020

File:

PDF, 1.89 MB

2020

22

Chalcogenide Perovskite YScS 3 as a Potential p-Type Transparent Conducting Material

Zhang, Han, Ming, Chen, Yang, Ke, Zeng, Hao, Zhang, Shengbai, Sun, Yi-Yang

Journal:

Chinese Physics Letters

Year:

2020

File:

PDF, 2.64 MB

2020

23

Vector potential and surface magnetic field in magnetoelectric antiferromagnetic materials

Jiang, Zeyu, West, Damien, Zhang, Shengbai

Journal:

Physical Review B

Year:

2020

File:

PDF, 726 KB

2020

24

Reversible Lithium-Ion Insertion in Molybdenum Oxide Nanoparticles

Se-Hee Lee, Yong-Hyun Kim, Rohit Deshpande, Philip A. Parilla, Erin Whitney, Dane T. Gillaspie, Kim M. Jones, A. Harv Mahan, Shengbai Zhang, Anne C. Dillon

Journal:

Advanced Materials

Year:

2008

Language:

english

File:

PDF, 457 KB

english, 2008

25

Topological Insulator Thin Films of Bi2Te3 with Controlled Electronic Structure

Guang Wang, Xie-Gang Zhu, Yi-Yang Sun, Yao-Yi Li, Tong Zhang, Jing Wen, Xi Chen, Ke He, Li-Li Wang, Xu-Cun Ma, Jin-Feng Jia, Shengbai B. Zhang, Qi-Kun Xue

Journal:

Advanced Materials

Year:

2011

Language:

english

File:

PDF, 831 KB

english, 2011

26

A Nanoscale Jigsaw-Puzzle Approach to Large π-Conjugated Systems

Dr. Xingfa Gao, Prof. Dr. Shengbai B. Zhang, Prof. Dr. Yuliang Zhao, Prof. Dr. Shigeru Nagase

Journal:

Angewandte Chemie International Edition

Year:

2010

Language:

english

File:

PDF, 496 KB

english, 2010

27

Ti-Substituted Boranes as Hydrogen Storage Materials: A Computational Quest for the Ideal Combination of Stable Electronic Structure and Optimal Hydrogen Uptake

Cheng-Gen Zhang, Renwu Zhang, Zhi-Xiang Wang, Zhen Zhou, Shengbai B. Zhang, Zhongfang Chen

Journal:

Chemistry - A European Journal

Year:

2009

Language:

english

File:

PDF, 1.05 MB

english, 2009

28

ChemInform Abstract: Ti-Substituted Boranes as Hydrogen Storage Materials: A Computational Quest for the Ideal Combination of Stable Electronic Structure and Optimal Hydrogen Uptake.

Cheng-Gen Zhang, Renwu Zhang, Zhi-Xiang Wang, Zhen Zhou, Shengbai B. Zhang, Zhongfang Chen

Journal:

Year:

2009

File:

PDF, 12 KB

2009

29

ChemInform Abstract: Endohedral Metalloborofullerenes La2@B80 andSc3N@B80: A Density Functional Theory Prediction.

Peng Jin, Ce Hao, Zhanxian Gao, Shengbai B. Zhang, Zhongfang Chen

Journal:

Year:

2010

File:

PDF, 12 KB

2010

30

Interactions between Al12X (X = Al, C, N and P) nanoparticles and DNA nucleobases/base pairs: implications for nanotoxicity

Peng Jin, Yongsheng Chen, Shengbai B. Zhang, Zhongfang Chen

Journal:

Journal of Molecular Modeling

Year:

2012

Language:

english

File:

PDF, 861 KB

english, 2012

31

MoS2 Nanoribbons: High Stability and Unusual Electronic and Magnetic Properties

Li, Yafei, Zhou, Zhen, Zhang, Shengbai, Chen, Zhongfang

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 321 KB

english, 2008

32

Structures and lattice energies of molecular crystals using density functional theory: Assessment of a local atomic potential approach

Zheng, Zhaoyang, Zhao, Jijun, Sun, Yiyang, Zhang, Shengbai

Journal:

Chemical Physics Letters

Year:

2012

Language:

english

File:

PDF, 595 KB

english, 2012

33

Quasi-single Crystal Semiconductors on Glass Substrates Through Biaxially Oriented Buffer Layers

Lu, Toh-Ming, Li, Huafang, Gaire, Churamani, LiCausi, Nicholas, Chan, Tzu Liang, Bhat, Ishwara, Zhang, Shengbai, Wang, Gwo Ching

Journal:

MRS Proceedings

Year:

2010

Language:

english

File:

PDF, 1.14 MB

english, 2010

34

Boron-Based Organometallic Nanostructures: Hydrogen Storage Properties and Structure Stability

Zhao, Yufeng, Lusk, Mark T., Dillon, Anne C., Heben, Michael J., Zhang, Shengbai B.

Journal:

Year:

2008

Language:

english

File:

PDF, 398 KB

english, 2008

35

Hydrogenation: A Simple Approach To Realize Semiconductor−Half-Metal−Metal Transition in Boron Nitride Nanoribbons

Chen, Wei, Li, Yafei, Yu, Guangtao, Li, Chen-Zhong, Zhang, Shengbai B., Zhou, Zhen, Chen, Zhongfang

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 3.52 MB

english, 2010

36

Direct Atom-by-Atom Chemical Identification of Nanostructures and Defects of Topological Insulators

Jiang, Ying, Wang, Yong, Sagendorf, Jared, West, Damien, Kou, Xufeng, Wei, Xiao, He, Liang, Wang, Kang L., Zhang, Shengbai, Zhang, Ze

Journal:

Year:

2013

Language:

english

File:

PDF, 3.95 MB

english, 2013

37

Tight-binding description of graphyne and its two-dimensional derivatives

Zheng, Jia-Jia, Zhao, Xiang, Zhang, Shengbai B., Gao, Xingfa

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.00 MB

english, 2013

38

Crystalline Liquid and Rubber-Like Behavior in Cu Nanowires

Yue, Yonghai, Chen, Nianke, Li, Xianbin, Zhang, Shengbai, Zhang, Ze, Chen, Mingwei, Han, Xiaodong

Journal:

Year:

2013

Language:

english

File:

PDF, 437 KB

english, 2013

39

Mapping the 3D surface potential in Bi2Se3

Mann, Chris, West, Damien, Miotkowski, Ireneusz, Chen, Yong P., Zhang, Shengbai, Shih, Chih-Kang

Journal:

Nature Communications

Year:

2013

Language:

english

File:

PDF, 1.23 MB

english, 2013

40

Two-Dimensional Transition Metal Honeycomb Realized: Hf on Ir(111)

Li, Linfei, Wang, Yeliang, Xie, Shengyi, Li, Xian-Bin, Wang, Yu-Qi, Wu, Rongting, Sun, Hongbo, Zhang, Shengbai, Gao, Hong-Jun

Journal:

Year:

2013

Language:

english

File:

PDF, 3.89 MB

english, 2013

41

Electron-Rich Driven Electrochemical Solid-State Amorphization in Li–Si Alloys

Wang, Zhiguo, Gu, Meng, Zhou, Yungang, Zu, Xiaotao, Connell, Justin G., Xiao, Jie, Perea, Daniel, Lauhon, Lincoln J., Bang, Junhyeok, Zhang, Shengbai, Wang, Chongmin, Gao, Fei

Journal:

Year:

2013

Language:

english

File:

PDF, 1.36 MB

english, 2013

42

Absolute redox potential of liquid water: a first-principles theory

Lucking, Michael, Sun, Yi-Yang, West, Damien, Zhang, Shengbai

Journal:

Chemical Science

Year:

2014

Language:

english

File:

PDF, 579 KB

english, 2014

43

Direct observation of Pt nanocrystal coalescence induced by electron-excitation-enhanced van der Waals interactions

Jiang, Ying, Wang, Yong, Zhang, Yu Yang, Zhang, Zhengfei, Yuan, Wentao, Sun, Chenghua, Wei, Xiao, Brodsky, Casey N., Tsung, Chia-Kuang, Li, Jixue, Zhang, Xiaofeng, Mao, Scott X., Zhang, Shengbai, Zhan

Journal:

Year:

2014

Language:

english

File:

PDF, 955 KB

english, 2014

44

Achieving Ferromagnetism in Single-Crystalline ZnS Wurtzite Nanowires via Chromium Doping

Li, Yafei, Zhou, Zhen, Jin, Peng, Chen, Yongsheng, Zhang, Shengbai B., Chen, Zhongfang

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.69 MB

english, 2010

45

Opening a large band gap for graphene by covalent addition

Gao, Xingfa, Wei, Zhongqing, Meunier, Vincent, Sun, Yiyang, Zhang, Shengbai B.

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 622 KB

english, 2013

46

Role of nano in catalysis: Palladium catalyzed hydrogen desorption from nanosized magnesium hydride

Xie, Weiyu, West, Damien J., Sun, Yiyang, Zhang, Shengbai

Journal:

Year:

2013

Language:

english

File:

PDF, 2.01 MB

english, 2013

47

Electronic Structure and Mobility of Alkylated and Nonalkylated Organic Semiconductors: Role of van der Waals Interactions

Northrup, John E., Xie, Weiyu, Sun, Yi-Yang, Zhang, Shengbai

Journal:

Applied Physics Express

Year:

2013

Language:

english

File:

PDF, 766 KB

english, 2013

48

The New Phase [Tl 4 Sb 6 Se 10 ][Sn 5 Sb 2 Se 14 ]: A Naturally Formed Semiconducting Heterostructure with Two-Dimensional Conductance

Fang, Lei, Iyer, Ratnasabapathy G., Tan, Gangjian, West, Damien J., Zhang, Shengbai, Kanatzidis, Mercouri G.

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 4.44 MB

english, 2014

49

Characteristics of Raman spectra for graphene oxide from ab initio simulations

Wang, Lu, Zhao, Jijun, Sun, Yi-Yang, Zhang, Shengbai B.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 952 KB

english, 2011

50

Strong Covalency-Induced Recombination Centers in Perovskite Solar Cell Material CH 3 NH 3 PbI 3

Agiorgousis, Michael L., Sun, Yi-Yang, Zeng, Hao, Zhang, Shengbai

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 745 KB

english, 2014

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