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1

Topological insulators based on 2D shape-persistent organic ligand complexes

Zhou, Qionghua, Wang, Jinlan, Chwee, Tsz Sian, Wu, Gang, Wang, Xiaobai, Ye, Qun, Xu, Jianwei, Yang, Shuo-Wang

Journal:

Year:

2015

Language:

english

File:

PDF, 3.72 MB

english, 2015

2

Towards tuning of surface properties by atomic and molecular adsorption on boron-terminated cubic boron nitride (111) surface: A first-principles study

Ng, Man-Fai, Teo, Mui Kheng, Lim, Kok Hwa, Zhou, Liping, Sullivan, Michael B., Yang, Shuo-Wang

Journal:

Diamond and Related Materials

Year:

2008

Language:

english

File:

PDF, 1.37 MB

english, 2008

3

Structures and magnetism of multinuclear vanadium-pentacene sandwich clusters and their 1D molecular wires

Zhang, Tingting, Zhu, Liyan, Wu, Qisheng, Yang, Shuo-Wang, Wang, Jinlan

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.05 MB

english, 2012

4

Effect of Uniaxial Strain on the Electrical and Magnetic Property of a One-Dimensional Bimetallic Sandwich Molecular Wire (FeCpVCp) ∞

Da, Haixia, Jin, Hong Mei, Yang, Shuo-Wang, Lim, Kok Hwa

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 3.72 MB

english, 2009

5

The photo- and electrochemical properties and electronic structures of conjugated diphenylanthrazolines

Shan Liu, Qiang Wang, Peng Jiang, Rui Liu, Guangliang Song, Hongjun Zhu, Shuo-Wang Yang

Journal:

Dyes and Pigments

Year:

2010

Language:

english

File:

PDF, 795 KB

english, 2010

6

Naphthalene adsorption on Si(1 1 1)-7 × 7

Kian Soon Yong, Yong Ping Zhang, Shuo-Wang Yang, Guo Qin Xu

Journal:

Surface Science

Year:

2008

Language:

english

File:

PDF, 1.16 MB

english, 2008

7

Atomic carbon adsorption on Ni nanoclusters: a DFT study

Qiang Wang, Kok Hwa Lim, Shuo-Wang Yang, Yanhui Yang, Yuan Chen

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2011

Language:

english

File:

PDF, 437 KB

english, 2011

8

Modulation of the work function of silicon nanowire by chemical surface passivation: a DFT study

Man-Fai Ng, Li Yun Sim, Haixia Da, Hongmei Jin, Kok Hwa Lim, Shuo-Wang Yang

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2010

Language:

english

File:

PDF, 688 KB

english, 2010

9

Understanding nitrogen-induced effects on the performance of ultra low-k dielectric systems through ab initio simulations

Ling Dai, V.B.C. Tan, Shuo-Wang Yang, Ping Wu, Xian-Tong Chen

Journal:

Surface Science

Year:

2007

Language:

english

File:

PDF, 1.05 MB

english, 2007

10

The Mechanism of Single-Walled Carbon Nanotube Growth and Chirality Selection Induced by Carbon Atom and Dimer Addition

Wang, Qiang, Ng, Man-Fai, Yang, Shuo-Wang, Yang, Yanhui, Chen, Yuan

Journal:

Year:

2010

Language:

english

File:

PDF, 394 KB

english, 2010

11

Charge Transfer between Metal Clusters and Growing Carbon Structures in Chirality-Controlled Single-Walled Carbon Nanotube Growth

Wang, Qiang, Yang, Shuo-Wang, Yang, Yanhui, Chan-Park, Mary B., Chen, Yuan

Journal:

The Journal of Physical Chemistry Letters

Year:

2011

Language:

english

File:

PDF, 927 KB

english, 2011

12

Origin of Long-Range Ferromagnetic Ordering in Metal–Organic Frameworks with Antiferromagnetic Dimeric-Cu(II) Building Units

Shen, Lei, Yang, Shuo-Wang, Xiang, Shengchang, Liu, Tao, Zhao, Bangchuan, Ng, Man-Fai, Göettlicher, Jörg, Yi, Jiabao, Li, Sean, Wang, Lan, Ding, Jun, Chen, Banglin, Wei, Su-Huai, Feng, Yuan Ping

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 1.93 MB

english, 2012

13

Half metal↔semiconductor reversible switch in bimetallic sandwich molecular wire via redox reactions

Haixia Da, Hong Mei Jin, Kok Hwa Lim, Valeri Ligatchev, Man-Fai Ng, Khoong Hong Khoo, Shuo-Wang Yang

Journal:

Year:

2012

Language:

english

File:

PDF, 1.09 MB

english, 2012

14

Water induced electrical hysteresis in germanium nanowires: a theoretical study

Sk, Mahasin Alam, Ng, Man-Fai, Yang, Shuo-Wang, Lim, Kok Hwa

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.17 MB

english, 2011

15

Graphene layers on Cu and Ni (111) surfaces in layer controlled graphene growth

Wang, Qiang, Wei, Li, Sullivan, Michael, Yang, Shuo-Wang, Chen, Yuan

Journal:

Year:

2013

Language:

english

File:

PDF, 683 KB

english, 2013

16

Magnetic Manipulation and Half-Metal Prediction of One-Dimensional Bimetallic Organic Sandwich Molecular Wires [CpTM 1 CpTM 2 ] ∞ (TM 1 = Ti, Cr, Fe; TM 2 = Sc−Co)

Zhang, Xiuyun, Tian, Zhi, Yang, Shuo-Wang, Wang, Jinlan

Journal:

The Journal of Physical Chemistry C

Year:

2011

Language:

english

File:

PDF, 2.60 MB

english, 2011

17

A Possible Reaction Pathway to Fabricate a Half-Metallic Wire on a Silicon Surface

Lu, Yun Hao, Jin, Hongmei, Zhu, Hongjun, Yang, Shuo-Wang, Zhang, Chun, Jiang, Jian Zhong, Feng, Yuan Ping

Journal:

Advanced Functional Materials

Year:

2013

Language:

english

File:

PDF, 750 KB

english, 2013

18

Electron Transport Properties of Atomic Carbon Nanowires between Graphene Electrodes

Shen, Lei, Zeng, Minggang, Yang, Shuo-Wang, Zhang, Chun, Wang, Xuefeng, Feng, Yuanping

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 1.80 MB

english, 2010

19

Theoretical Studies on Structural, Magnetic, and Spintronic Characteristics of Sandwiched Eu n COT n +1 ( n = 1−4) Clusters

Zhang, Xiuyun, Ng, Man-Fai, Wang, Yanbiao, Wang, Jinlan, Yang, Shuo-Wang

Journal:

Year:

2009

Language:

english

File:

PDF, 3.92 MB

english, 2009

20

Manipulating Spin Transport via Vanadium−Iron Cyclopentadienyl Multidecker Sandwich Molecules

Wu, Jian-Chun, Wang, Xue-Feng, Zhou, Liping, Da, Hai-Xia, Lim, Kok Hwa, Yang, Shuo-Wang, Li, Zhen-Ya

Journal:

The Journal of Physical Chemistry C

Year:

2009

Language:

english

File:

PDF, 1.85 MB

english, 2009

21

Revealing the Way of Self-Complementary Dimerization for a Shape-Persistent Macrocycle Using Density Functional Theory Calculations

Ng, Man-Fai, Yang, Shuo-Wang

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 384 KB

english, 2007

22

Half-Metallic Spintronic Switch of Bimetallic Sandwich Molecular Wire via the Control of External Electrical Field

Da, Haixia, Jin, Hong Mei, Lim, Kok Hwa, Yang, Shuo-Wang

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 1.24 MB

english, 2010

23

Charge-Transfer-Based Mechanism for Half-Metallicity and Ferromagnetism in One-Dimensional Organometallic Sandwich Molecular Wires

Shen, Lei, Yang, Shuo-Wang, Ng, Man-Fai, Ligatchev, Valeri, Zhou, Liping, Feng, Yuanping

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 846 KB

english, 2008

24

Adsorption-Induced Desorption of Benzene on Si(111)-7 × 7 by Substrate-Mediated Electronic Interactions

Yong, Kian Soon, Yang, Shuo-Wang, Zhang, Yong Ping, Wu, Ping, Xu, Guo Qin

Journal:

Year:

2008

Language:

english

File:

PDF, 639 KB

english, 2008

25

One-Dimensional Iron−Cyclopentadienyl Sandwich Molecular Wire with Half Metallic, Negative Differential Resistance and High-Spin Filter Efficiency Properties

Zhou, Liping, Yang, Shuo-Wang, Ng, Man-Fai, Sullivan, Michael B., Tan,, Shen, Lei

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 313 KB

english, 2008

26

Reactive Sites for Chiral Selective Growth of Single-Walled Carbon Nanotubes: A DFT Study of Ni 55 –C n Complexes

Wang, Qiang, Wang, Hong, Wei, Li, Yang, Shuo-Wang, Chen, Yuan

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.26 MB

english, 2012

27

Studies of Chemisorbed Tetracene on Si(111)-7×7 †

Yong, Kian Soon, Zhang, Yong Ping, Yang, Shuo-Wang, Wu, Ping, Xu, Guo Qin

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 1006 KB

english, 2007

28

Geometry Dependent I−V Characteristics of Silicon Nanowires

Ng, Man-Fai, Shen, Lei, Zhou, Liping, Yang, Shuo-Wang, Tan, Vincent B. C.

Journal:

Year:

2008

Language:

english

File:

PDF, 1.21 MB

english, 2008

29

Chemically Linked AuNP−Alkane Network for Enhanced Photoemission and Field Emission

Xie, Xian Ning, Gao, Xingyu, Qi, Dongchen, Xie, Yilin, Shen, Lei, Yang, Shuo-Wang, Sow, Chorng Haur, Wee, Andrew Thye Shen

Journal:

Year:

2009

Language:

english

File:

PDF, 4.16 MB

english, 2009

30

Theoretical investigation on carbon nucleation on nickel carbides at initial stages of single-walled carbon nanotube formation

Yang, Zhimin, Wang, Qiang, Shan, Xiaoye, Yang, Shuo-Wang, Zhu, Hongjun

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.80 MB

english, 2014

31

Boratabenzene-vanadium sandwich molecular wire and its properties

Tan, Wee Boon, Hongmei, Jin, Yang, Shuo-Wang, Xu, Guo Qin

Journal:

Year:

2012

Language:

english

File:

PDF, 522 KB

english, 2012

32

Oxidization states of metal atoms in linear bimetallic multi-sandwich molecules Vn(FeCp2)(n+1) and magnetic moment enhancement mechanism of its 1D wire

Shen, Lei, Jin, Hongmei, Ligatchev, Valeri, Yang, Shuo-Wang, Sullivan, Michael B., Feng, Yuanping

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.22 MB

english, 2010

33

Investigation of metal diffusion into polymers by ab initio molecular dynamics

Dai, Ling, Yang, Shuo-Wang, Chen, Xian-Tong, Wu, Ping, Tan, V. B. C.

Journal:

Applied Physics Letters

Year:

2005

Language:

english

File:

PDF, 403 KB

english, 2005

34

Mechanism of tantalum adhesion on SiLK™

Hu, Yue, Yang, Shuo-Wang, Chen, Xian Tong, Lu, Dong, Feng, Yuan Ping, Wu, Ping

Journal:

Applied Physics Letters

Year:

2005

Language:

english

File:

PDF, 411 KB

english, 2005

35

Investigation of Ta film growth mechanisms and atomic structures on polymer and SiC amorphous substrates

Yang, Shuo-Wang, Dai, Ling, Chen, Xian-Tong, Wu, Ping, Tan, V. B. C.

Journal:

Applied Physics Letters

Year:

2006

Language:

english

File:

PDF, 604 KB

english, 2006

36

[IEEE 2010 8th International Vacuum Electron Sources Conference and Nanocarbon (IVESC) - Nanjing, China (2010.10.14-2010.10.16)] 2010 8th International Vacuum Electron Sources Conference and Nanocarbon - Spin dependent transport in [CpFeCpV]n molecule wires

Jian-Chun Wu,, Xue-Feng Wang,, Liping Zhou,, Shuo-Wang Yang,, Zhen-Ya Li,

Year:

2010

Language:

english

File:

PDF, 475 KB

english, 2010

37

High performance current and spin diode of atomic carbon chain between transversely symmetric ribbon electrodes

Dong, Yao-Jun, Wang, Xue-Feng, Yang, Shuo-Wang, Wu, Xue-Mei

Journal:

Scientific Reports

Year:

2014

Language:

english

File:

PDF, 898 KB

english, 2014

38

Large scale ab initio molecular dynamics simulations of hydrogen-induced degradation of Ta diffusion barriers in ultralow-k dielectric systems

Dai, Ling, Tan, V. B. C., Yang, Shuo-Wang, Wu, Ping, Chen, Xian-Tong

Journal:

Applied Physics Letters

Year:

2007

Language:

english

File:

PDF, 517 KB

english, 2007

39

Theoretical investigation of silicon nanowires: Methodology, geometry, surface modification, and electrical conductivity using a multiscale approach

Ng, Man-Fai, Zhou, Liping, Yang, Shuo-Wang, Sim, Li Yun, Tan, Vincent B. C., Wu, Ping

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 896 KB

english, 2007

40

INVESTIGATION OF ELECTRON TRANSPORT OF OPEN MOLECULAR STRUCTURES BASED ON FIRST PRINCIPLES THEORY

BAI, PING, YANG, SHUO-WANG, LI, ER-PING, WU, PING

Journal:

International Journal of Nanoscience

Year:

2004

Language:

english

File:

PDF, 1.09 MB

english, 2004

41

Theoretical Guide for Fabricating a Conductive Molecular Wire on Silicon Surface via an In Situ Surface Polymerization Reaction

Yao, Xiaojing, Wang, Jinlan, Yuan, Shijun, Xiuyun, Zhang, Wu, Gang, Wang, Xiaobai, Yang, Shuo-Wang

Journal:

Year:

2015

Language:

english

File:

PDF, 1000 KB

english, 2015

42

Electronic structures, mechanical properties and carrier mobilities of π-conjugated X(X=Ni, Pd, Pt) bis(dithiolene) nanosheets: Theoretical predictions

Lü, Tie-Yu, Feng, Hai, Yang, Shuo-Wang, Zheng, Jin-Cheng

Journal:

Computational Materials Science

Year:

2017

Language:

english

File:

PDF, 1.17 MB

english, 2017

43

First principles studies on the thermoelectric properties of (SrO) m (SrTiO 3 ) n superlattice

Zhang, Liang, Lü, Tie-Yu, Wang, Hui-Qiong, Zhang, Wen-Xing, Yang, Shuo-Wang, Zheng, Jin-Cheng

Journal:

Year:

2016

Language:

english

File:

PDF, 2.72 MB

english, 2016

44

Electronic and thermoelectric properties of the group-III nitrides (BN, AlN and GaN) atomic sheets under biaxial strains

Huang, Zheng, Lü, Tie-Yu, Wang, Hui-Qiong, Yang, Shuo-Wang, Zheng, Jin-Cheng

Journal:

Computational Materials Science

Year:

2017

Language:

english

File:

PDF, 4.96 MB

english, 2017

45

How to Fabricate a Surface-Grafted Polythiophene on H-Si(100)2×1 Surface via Self-Assembling and in Situ Surface Polymerization: A Theoretical Guide

Yao, Xiaojing, Wang, Jinlan, Wu, Gang, Xu, Jianwei, Yang, Shuo-Wang

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 4.39 MB

english, 2016

46

Theoretical study on the self-assembly of 1,3,5-triethynylbenzene on Si(100)2 × 1 and in situ polymerization via reaction with CO to fabricate a single surface-grafted polymer

Yao, Xiaojing, Wang, Jinlan, Wu, Gang, Goh, Shermin S., Zhu, Hongjun, Yang, Shuo-Wang

Journal:

Journal of Materials Chemistry C

Year:

2017

Language:

english

File:

PDF, 2.28 MB

english, 2017

47

Computational Design of Perovskite Ba x Sr 1– x SnO 3 Alloys as Transparent Conductors and Photocatalysts

Wong, Zicong Marvin, Cheng, Hansong, Yang, Shuo-Wang, Tan, Teck Leong, Xu, Guoqin

Journal:

The Journal of Physical Chemistry C

Year:

2017

Language:

english

File:

PDF, 3.55 MB

english, 2017

48

A Theoretical Mechanistic Study on Electrical Conductivity Enhancement of DMSO Treated PEDOT:PSS

YILDIRIM, Erol, Wu, Gang, Xue, Yong, Tan, Teck Leong, Qiang, Zhu, Xu, Jianwei, Ouyang, Jianyong, Wang, Jian-Sheng, Yang, Shuo-Wang

Journal:

Journal of Materials Chemistry C

Year:

2018

Language:

english

File:

PDF, 2.07 MB

english, 2018

49

Origin of metallicity in 2D multilayer nickel bis(dithiolene) sheets

Li, Suchun, Lü, Tie-Yu, Zheng, Jin-Cheng, Yang, Shuo-Wang, Wang, Jian-Sheng, Wu, Gang

Journal:

Year:

2018

Language:

english

File:

PDF, 1.61 MB

english, 2018

50

CoFe 2 O 4 Nanocrystals Mediated Crystallization Strategy for Magnetic Functioned ZSM-5 Catalysts

Li, Bin, Yildirim, Erol, Li, Wei, Qi, Dianpeng, Yu, Jiancan, Wei, Jiaqi, Liu, Zhiyuan, Sun, Zhenkun, Liu, Yong, Kong, Biao, Xue, Zhaoteng, Liu, Zhuangjian, Yang, Shuo-Wang, Chen, Xiaodong, Zhao, Dongy

Journal:

Advanced Functional Materials

Year:

2018

Language:

english

File:

PDF, 2.83 MB

english, 2018