Publications:
The single asterisk indicates corresponding authors.
For more information about my articles and related citations, please see my ResearcherID page.
S. Yu, L. Zhang, Y.X. Xu, S.Q. Wu, Z.Z. Zhu,* "Electronic properties of a new structured Sin/O superlattice", AIP Advances 6 (2016) 115203. [doi]
P. Wu, S.Q. Wu,* X. Lv, X. Zhao, Z. Ye, Z. Lin, C.Z. Wang, K.M. Ho,* "Fe-Si networks in Na2FeSiO4 cathode materials", Physical Chemistry Chemical Physics 18 (2016) 23916-23922. [doi]
Z. Ye, X. Zhao, S.D. Li, S.Q. Wu,* P. Wu, M.C. Cuong, J.H. Guo, J.X. Mi, Z.L. Gong, Z.Z. Zhu, Y. Yang, C.Z. Wang, K.M. Ho,* "Robust diamond-like Fe-Si network in the zero-strain NaxFeSiO4 Cathode", Electrochimica Acta 212 (2016) 934-940. [doi]
Q.B. Lin, S.Q. Wu, Z.Z. Zhu,* "Formation of star nanowires of sulfur-doped zinc oxide: Ab initio calculations", AIP Advances 6 (2016) 095219. [doi]
S.D. Li,# J.H. Guo,# Z. Ye, X. Zhao, S.Q. Wu, J.X. Mi, C.Z. Wang, Z.L. Gong, M.J. McDonald, Z.Z. Zhu, K.M. Ho, Y. Yang,* "Zero-Strain Na2FeSiO4 as Novel Cathode Material for Sodium-Ion Batteries", ACS Applied Materials & Interfaces 8 (2016) 17233-17238. [doi]
P. Du, S.Q. Wu, J.S. Yu,* "Synthesis, electronic structure and luminescence properties of color-controllable Dy3+/Eu3+-codoped CaWO4 phosphors", Journal of Luminescence 173 (2016) 192-198. [doi]
J. Zheng, S.Q. Wu, G. Chen, S. Dang, Y. Zhuang, Z. Guo, Y. Lu, Q. Cheng,* C. Chen,* "Blue-emitting Ca5(PO4)3Cl:Eu2+ phosphor for near-UV pumped light emitting diodes: Electronic structures, luminescence properties and LED fabrications", Journal of Alloys and Compounds 663 (2016) 332-339. [doi]
M. Lin, Y. Xu, J.H. Zhang, S.Q. Wu, Z.Z. Zhu,* "Hybrid functional calculations on the band gap bowing parameters of InxGa1-xN", Journal of Semiconductors 37 (2016) 042001. [doi]
Y. Shao, H. Yue, R. Qiao, J. Hu, G. Zhong, S.Q. Wu, M.J. McDonald, Z.L. Gong, Z.Z. Zhu, W. Yang, and Y. Yang,* "Synthesis and Reaction Mechanism of Novel Fluorinated Carbon Fiber as a High-Voltage Cathode Material for Rechargeable Na Batteries", Chemistry of Materials 28 (2016) 1026-1033. [doi]
W. Wan, X.D. Li, X. Li, B. Xu, L. Zhan, Z. Zhao, P. Zhang, S.Q. Wu, Z.Z. Zhu, H. Huang, Y.H. Zhou,* W.W. Cai,* "Interlayer coupling of a direct van der Waals epitaxial MoS2/graphene heterostructure", RSC Advances 173 (2016) 323-330. [doi]
P. Du, S.Q. Wu, J.S. Yu
Synthesis, electronic structure and luminescence properties of color-controllable Dy3+/Eu3+-codoped CaWO4 phosphors
Journal of Luminescence 173 (2016) 192-198. [doi]
J. Zheng, S.Q. Wu, G. Chen, S. Dang, Y. Zhuang, Z. Guo, Y. Lu, Q. Cheng, C. Chen
Blue-emitting Ca5(PO4)3Cl:Eu2+ phosphor for near-UV pumped light emitting diodes: Electronic structures, luminescence properties and LED fabrications
Journal of Alloys and Compounds 663 (2016) 332-339. [doi]
Y. Shao, H. Yue, R. Qiao, J. Hu, G. Zhong, S.Q. Wu, M.J. McDonald, Z.L. Gong, Z.Z. Zhu, W. Yang, and Y. Yang
Synthesis and Reaction Mechanism of Novel Fluorinated Carbon Fiber as a High-Voltage Cathode Material for Rechargeable Na Batteries
Chemistry of Materials 28 (2016) 1026-1033. [doi]
W. Wan, X.D. Li, X. Li, B. Xu, L. Zhan, Z. Zhao, P. Zhang, S.Q. Wu, Z.Z. Zhu, H. Huang, Y.H. Zhou, W.W. Cai
Interlayer coupling of a direct van der Waals epitaxial MoS2/graphene heterostructure
RSC Advances 173 (2016) 323-330. [doi]
C. Lin,* S. Yu, H. Zhao, S.Q. Wu,* G. Wang, L. Yu, Y. Li, Z.Z. Zhu, J. Li, S. Lin,*
Defective Ti2Nb10O27.1: an advanced anode material for lithium-ion batteries
Scientific Reports 5 (2015) 17836. [doi]
X. Zhao,* S.Q. Wu,* X. Lv, M.C. Nguyen, C.Z. Wang, Z. Lin, Z.Z. Zhu, K.M. Ho
Exploration of tetrahedral structures in silicate cathodes using a motif-network scheme
Scientific Reports 5 (2015) 15555. [doi]
Y.M. Fang, Z.-Q. Huang, C.-H. Hsu, X.D. Li, Y.X. Xu, Y.H. Zhou, S.Q. Wu,* F.-C. Chuang,* Z.Z. Zhu,*
Quantum Spin Hall States in Stanene/Ge(111)
Scientific Reports 5 (2015) 14196. [doi]
J. Zheng, Q. Cheng, S.Q. Wu, Y. Zhuang, Z. Guo, Y. Lu, C. Chen
Structure, electronic properties, luminescence and chromaticity investigations of rare earth doped KMgBO3 phosphors
Materials Chemistry and Physics 165 (2015) 168-176. [doi]
J. Zheng, Q. Cheng, S.Q. Wu, R. Chen, L. Cai, C. Chen
Electronic structure and luminescence properties of Tb3+-activated NaBaBO3 green-emitting phosphor
Journal of Rare Earths 33 (2015) 933-938. [doi]
A.Y. Li, S.Q. Wu, Y. Yang, Z.Z. Zhu,*
Structural and electronic properties of Li-ion battery cathode material MoF3 from first-principles
Journal of Solid State Chemistry 227 (2015) 25-29. [doi]
X.D. Li, Y.M. Fang, S.Q. Wu,* Z.Z. Zhu,*
Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS2
AIP Advances 5 (2015) 057143. [doi]
J.Q. Hu, J.H. Zhang, S.Q. Wu, Z.Z. Zhu,
Hybrid functional studies on the optical and electronic properties of graphane and silicane
Solid State Communications 209-210 (2015), 59-65. [doi]
J. Zheng, Q. Cheng, S.Q. Wu, Z. Guo, Y. Zhuang, Y. Lu, Y. Li, C. Chen
An efficient blue-emitting Sr5(PO4)3Cl:Eu2+ phosphor for application in near-UV white light-emitting diodes
Journal of Materials Chemistry C 3 (2015) 11219-11227. [doi]
X.D. Li, S.Q. Wu,* Z.Z. Zhu,*
Band gap control and transformation of monolayer-MoS2-based hetero-bilayers
Journal of Materials Chemistry C 3 (2015) 9403-9411. [doi]
C. Lin,* S. Yu, S.Q. Wu,* S. Lin, Z.Z. Zhu, J. Li, L. Lu
Ru0.01Ti0.99Nb2O7 as an intercalation-type anode material with a large capacity and high rate performance for lithium-ion batteries
Journal of Materials Chemistry A 3 (2015) 8627-8635. [doi]
P. Zhang, Y.X. Xu, F. Zheng, S.Q. Wu,* Y. Yang, Z.Z. Zhu,*
Ion Diffusion Mechanism in Pn NaxLi2-xMnSiO4
CrystEngComm 17 (2015) 2123-2128. [doi]
X. Li, X.Y. He, C.M. Shi, B. Liu, Y.Y. Zhang, S.Q. Wu, Z.Z. Zhu, J.B. Zhao
Synthesis of One-Dimensional Copper Sulfide Nanorods as High-Performance Anode in Lithium Ion Batteries
CHEMSUSCHEM 7 (2014) 3328-3333. [doi]
S.Q. Wu*, C.Z. Wang, Z.Z. Zhu, K.M. Ho
Understanding the role of silicon oxide shell in oxide-assisted SiNWs growth
Materials Chemistry and Physics 148 (2014) 1145-1148. [doi]
S. Yu, P. Zhang, S.Q. Wu*, A.Y. Li, Z.Z. Zhu*, Y. Yang
Understanding the structural and electronic properties of the Cathode Material NaFeF3 in a Na-ion Battery
Journal of Solid State Electrochemistry 18 (2014) 2071-2075. [doi]
X.D. Li, S.Q. Wu, S. Zhou, Z.Z. Zhu*
Structural and electronic properties of germanene MoS2 monolayer and silicene/MoS2 monolayer superlattices
Nanoscale Research Letters 9 (2014) 110. [doi]
S.Q. Wu, M. Ji, C.Z. Wang*, M.C. Nguyen, X Zhao, K. Umemoto, R.M. Wentzcovitch, K.M. Ho*
An adaptive genetic algorithm for crystal structure prediction
Journal of Physics: Condensed Matter 26 (2014) 035402. [doi]
S. Yu, X.D. Li, S.Q. Wu*, Y.H. Wen, S. Zhou, Z.Z. Zhu*
Novel Electronic Structures of Superlattice Composed of Graphene and Silicene
Materials Research Bulletin 50 (2014) 268-272. [doi]
P. Zhang, Y. Zheng, S. Yu, S.Q. Wu*, Z.Z. Zhu*, Y. Yang
Hybrid density functional investigations of Li2MSiO4 (M = Mn, Fe and Co) cathode materials
Computational Materials Science 83 (2014) 45-50. [doi]
T.H. Gao, S.Q. Wu, P. Zhang, Z.Z. Zhu
Structural and electronic properties of hydrogenated bilayer boron nitride
Acta Physica Sinica 63 (2014) 016801. [doi]
Q.-H. Wu, S.Q. Wu, C.I. Pakes
Impact of surface dipole on resonant electron injection in scanning tunnelling spectroscopy
Chinese Journal of Chemical Physics 26 (2013) 393-397. [doi]
P. Zhang, Y. Zheng, S. Yu, S.Q. Wu*, Y.H. Wen, Z.Z. Zhu*, Y. Yang
Insights into Electrochemical Performance of Li2FeSiO4 from First-Principles Calculations
Electrochimica Acta 111 (2013) 172-178. [doi]
X.D. Li, S. Yu, S.Q. Wu*, Y.H. Wen, S. Zhou, Z.Z. Zhu*
Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2
Journal of Physical Chemistry C 117 (2013) 15347-15353. [doi]
W. Zhang, P.N. Duchesne, Z.L. Gong, S.Q. Wu, L. Ma, Z. Jiang, S. Zhang, P. Zhang, J.X. Mi, Y. Yang
In Situ Electrochemical XAFS Studies on an Iron Fluoride High-Capacity Cathode Material for Rechargeable Lithium Batteries
Journal of Physical Chemistry C 117 (2013) 11498-11505. [doi]
D.P. Lv, J.Y. Bai, P. Zhang, S.Q. Wu, Y.X. Li, W. Wen, Z. Jiang, J.X. Mi, Z.Z. Zhu, Y. Yang*
Understanding the High Capacity of Li2FeSiO4: In Situ XRD/XANES Study Combined with First-Principles Calculations
Chemistry of Materials 25 (2013) 2014-2020. [doi]
Y. Zheng, P. Zhang, S.Q. Wu*, Y.H. Wen, Z.Z. Zhu*, Y. Yang
First-principles investigations on the Na2MnPO4F as a new cathode material for Na-ion batteries
Journal of The Electrochemical Society 160 (2013) A927-A932. [doi]
P. Zhang, X.D. Li, S. Yu, S.Q. Wu*, Z.Z. Zhu*, Y. Yang
Effects of Na Substitution on Li Ion Migration in Li2CoSiO4 Cathode Material
Journal of The Electrochemical Society 160 (2013) A658-A661. [doi]
C.H. Hu, P. Zhang, H.Y. Liu, Y. Zhang, S.Q. Wu*, Y. Yang, Z.Z. Zhu*
Structural Stability, Electronic and Magnetic Properties of Fluorinated Bilayer Graphene
Journal of Physical Chemistry C 117 (2013) 3572-3579. [doi]
Y. Zheng, R.F. Li, S.Q. Wu*, Y. Yang, Z.Z. Zhu*
First-principles investigation on the lithium ion insertion/extraction in trirutile LixFeF3
Electrochemistry 81 (2013) 12-15. [doi]
C. H. Hu, Y. Zhang, H.Y. Liu, S.Q. Wu*, Y. Yang, Z.Z. Zhu*
Tunable band gap in half-fluorinated bilayer graphene under biaxial strains
Computational Materials Science 65 (2012) 165-169. [doi]
Y. Zheng, P. Zhang, S.Q. Wu, Y.H. Wen, Z.Z. Zhu*, Y. Yang
First-principles studies on the structural and electronic properties of Li-ion battery cathode material CuF2
Solid State Communications 152 (2012) 1703-1706. [doi]
A.Y. Li, X.D. Li, Q.B. Lin, S.Q. Wu, Z.Z. Zhu*
Half-metallic ferromagnetism in Ag-doped ZnO: An ab initio study
Solid State Sciences 14 (2012) 769-772. [doi]
T.H. Gao, H.Y. Liu, P. Zhang, S.Q. Wu, Y. Yang, Z.Z. Zhu*
Structural and Electronic Properties of Al-Doped Spinel LiMn2O4
Acta Physica Sinica 61 (2012) 187306. [doi]
P. Zhang, C.H. Hu, S.Q. Wu*, Z. Z. Zhu*, Y. Yang
Structural properties and energetics of Li2FeSiO4 polymorphs and their delithiated products from first-principles
Physical Chemistry Chemical Physics 14 (2012) 7346-7351. [doi]
P. Zhang, X.D. Li, C.H. Hu, S.Q. Wu*, Z.Z. Zhu*
First-principles studies of the hydrogenation effects in silicene sheets
Physics Letters A 376 (2012) 1230-1233. [doi]
A.Y. Li, Y. Zheng, S.Q. Wu, Y.H. Wen, Z.Z. Zhu*
Magnetism of Mg atomic chains on the NaCl(100) surface
Solid State Communications 151 (2011) 1912-1915. [doi]
C.H. Hu, Y. Zheng, Y. Zhang, S.Q. Wu*, Y.H. Wen, Z.Z. Zhu*
Electronic and magnetic properties of silicon adsorption on graphene
Solid State Communications 151 (2011) 1128-1130. [doi]
D.P. Lv, W. Wen, X.K. Huang, J.Y. Bai, J.X. Mi, S.Q. Wu, Y. Yang*
Novel Li2FeSiO4/C Composite: Synthesis, Characterization and High Storage Capacity
Journal of Materials Chemistry 21 (2011) 9506. [doi]
S.Q. Wu, K. Umemoto*, M. Ji, C.Z. Wang, K.M. Ho, R.M. Wentzcovitch
Identication of post-pyrite phase transitions in SiO2 by genetic algorithm
Physical Review B 83 (2011) 184102. [doi]
S.Q. Wu, Yinghui Zhou, Qi-Hui Wu*, C.I. Pakes, Zi-Zhong Zhu
Adsorption of selenium atoms at the Si(111)-7¡Á7 surface: A combination of scanning tunnelling microscopy and density functional theory studies
Chemical Physics 382 (2011) 41-46. [doi]
Y. Zhang, C.H. Hu, Y.H. Wen*, S.Q. Wu, Z.Z. Zhu*
Strain-tunable band gap of hydrogenated bilayer graphene
New Journal of Physics 13 (2011) 063047. [doi]
Y.H. Wen*, Y. Zhang, S.Q. Wu, Z.Z. Zhu
Size-dependent elastic properties of single-walled ZnO nanotubes: A first-principles study
Journal of Applied Physics 109 (2011) 084325. [doi]
T.H. Gao, S.Q. Wu, C.H. Hu, Z.Z. Zhu*
The structural stability and electronic properties of monolayer BC2N
Acta Physica Sinica 60 (2011) 127305. [doi]
T.H. Gao, D.M. Lu, S.Q. Wu, Z.Z. Zhu*
First-principles calculations of magnetism of Fe atomic sheet
Acta Physica Sinica 60 (2011) 047502. [doi]
S.Q. Wu*, C.Z. Wang, S. G. Hao, Z.Z. Zhu, K.M. Ho
Energetics of local clusters in Cu64.5Zr35.5 metallic liquid and glass
Applied Physics Letters 97 (2010) 021901 [doi]
S.Q. Wu, C.Z. Wang*, Z.Z. Zhu, K.M. Ho
Structural and dynamical heterogeneity in molten Si-rich oxides
Applied Physics Letters 96 (2010) 043121 [doi]
[Highlighted at Virtual Journal of Nanoscale Science & Technology, February 15, 2010 Volume 21, Issue 7]
R.F. Li, S.Q. Wu*, Y. Yang, Z.Z. Zhu*
Structural and Electronic Properties of Li-Ion Battery Cathode Material FeF3
Journal of Physical Chemistry C 114 (2010) 16813-16817. [doi]
C.H. Hu, S.Q. Wu*, Y.H. Wen, Y. Yang, Z.Z. Zhu*
Structural design and two-dimensional conductivity of sheet-tube frameworks
Journal of Physical Chemistry C 114 (2010) 19673-19677. [doi]
Y. Zhang, S.Q. Wu, Y.H. Wen*, Z.Z. Zhu*
Surface-passivation-induced metallic and magnetic properties of ZnO graphitic sheet
Applied Physics Letters 96 (2010) 223113 [doi]
H.Y. Liu, C.H. Hu, S.Q. Wu, Z.Z. Zhu*
Ab initio study on the structural and electronic properties of Li3GaP2 compared with Li3GaN2
Solid State Sciences 12 (2010) 1080-1083 [doi]
S.Q. Wu, Z.Z. Zhu*, Y. Yang, Z.F. Hou
Structural stabilities, electronic structures and lithium deintercalation in LixMSiO4 (M = Mn, Fe, Co, Ni): A GGA and GGA+U study
Computational Materials Science 44 (2009) 1243-1251 [doi]
S.Q. Wu, Z.F. Hou, Z.Z. Zhu*
First-principles study on the structural, elastic, and electronic properties of γ-LiAlO2
Computational Materials Science 46 (2009) 221-224 [doi]
S.Q. Wu, Z.F. Hou, Z.Z. Zhu*
Elastic properties and electronic structures of CdCNi3, a comparative study with MgCNi3
Solid State Sciences 11 (2009) 251-258 [doi]
S.Q. Wu, Z.Z. Zhu*, Y. Yang, Z.F. Hou
Effects of Na-substitution on the structural and electronic properties of Li2CoSiO4 cathode material
Transactions of Nonferrous Metals Society of China 19 (2009) 182-186 [doi]
S.Q. Wu, Z.F. Hou, Z.Z. Zhu*
Electronic structure and magnetic state of InCNi3
Physica B 403 (2008) 4232-4235 [doi]
S.Q. Wu, N.L. Cai, Z.Z. Zhu*, Y. Yang
Ab initio study on Li deintercalation in ternary lithium nitridocuprate Li2.5Cu0.5N
Electrochimica Acta 53 (2008) 7915-7920 [doi]
Y.H. Wen, S.Q. Wu, J.H. Zhang, Z.Z. Zhu
The elastic behavior in Ni monocrystal: Nonlinear effects
Solid State Communications 146 (2008) 253-257 [doi]
S.Q. Wu, J.H. Zhang, Z.Z. Zhu*, Y. Yang
Structural and electronic properties of the Li-ion battery cathode material LixCoSiO4
Current Applied Physics 7 (2007) 611-616 [doi]
S.Q. Wu, Z.F. Hou, Z.Z. Zhu*
Ab initio study on the structural and elastic properties of MAlSi (M = Ca, Sr, and Ba)
Solid State Communications 143 (2007) 425-428 [doi]
S.Q. Wu, G.Z. Chen, Z.Z. Zhu
Structural stabilities and electronic structures of Ga atomic chains
Chinese Journal of Chemical Physics 19 (2006) 219-222 [doi]
