Browse by UCL people
Group by: Type | Date
Number of items: 26.
Article
Chang, J;
Chen, Q;
Ma, L;
Li, C;
Peng, Y;
Wu, W;
Wang, H;
(2021)
On the electronic structure and magnetism of CaCrO3: A hybrid-exchange density-functional-theory study.
Materials Today Communications
, 27
, Article 102179. 10.1016/j.mtcomm.2021.102179.
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Du, Xiaoyu;
Wu, Wei;
Choy, Kwang‐Leong;
(2023)
The adhesive energies between P3HT and PVP for organic electronic devices: Hybrid-exchange density-functional-theory studies.
Journal of Physical Organic Chemistry
, Article e4494. 10.1002/poc.4494.
(In press).
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Duan, L;
Wang, XC;
Zhang, J;
Hu, Z;
Zhao, JF;
Feng, YG;
Zhang, HL;
... Jin, CQ; + view all
(2022)
Synthesis, structure, and magnetism in the ferromagnet La_{3}MnAs_{5}: Well-separated spin chains coupled via itinerant electrons.
Physical Review B
, 106
(18)
, Article 184405. 10.1103/physrevb.106.184405.
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Duan, Tianpei;
Wu, Wei;
Choy, Kwang-Leong;
(2022)
Density-functional-theory simulations of the water and ice adhesion on silicene quantum dots.
Scientific Reports
, 12
, Article 8537. 10.1038/s41598-022-11943-w.
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Guo, Hengkai;
Baker, Jack S;
Wu, Wei;
Choy, Kwang Leong;
(2023)
High Dielectric Constants in BaTiO3 Due to Phonon Mode Softening Induced by Lattice Strains: First Principles Calculations.
Advanced Physics Research
10.1002/apxr.202300001.
(In press).
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Huang, T;
Chang, J;
Ma, L;
Fisher, AJ;
Harrison, NM;
Zou, T;
Wang, H;
(2023)
Triplet-mediated spin entanglement between organic radicals: integrating first principles and open-quantum-system simulations.
NPG Asia Materials
, 15
(1)
, Article 62. 10.1038/s41427-023-00510-y.
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Iwaya, K;
Bowler, DR;
Brazdova, V;
Ferreira da Silva, A;
Renner, C;
Wu, W;
Fisher, AJ;
... Aeppli, G; + view all
(2013)
Half-filled orbital and unconventional geometry of a common dopant in Si(001).
PHYSICAL REVIEW B
, 88
(3)
, Article 035440. 10.1103/PhysRevB.88.035440.
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Ma, Lin;
Chang, Jiawei;
Chen, Qiuyuan;
Zou, Taoyu;
Wu, Wei;
Wang, Hai;
(2022)
Triplet-radical spin entanglement: potential of molecular materials for high-temperature quantum information processing.
NPG Asia Materials
, 14
, Article 45. 10.1038/s41427-022-00392-6.
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Qiao, L;
Fang, L;
Lv, Q;
Xu, S;
Jia, F;
Wu, W;
Picozzi, S;
... Ren, W; + view all
(2023)
Predicting layered itinerant magnetic Fe3SiSe2 with spontaneous valley polarization.
Journal of Applied Physics
, 133
(20)
, Article 203902. 10.1063/5.0125336.
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Serri, M;
Wu, W;
Fleet, LR;
Harrison, NM;
Hirjibehedin, CF;
Kay, CWM;
Fisher, AJ;
... Heutz, S; + view all
(2014)
High-temperature antiferromagnetism in molecular semiconductor thin films and nanostructures.
NATURE COMMUNICATIONS
, 5
(ARTN 307)
10.1038/ncomms4079.
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Song, Zhenjun;
Shao, Xiji;
Wu, Wei;
Liu, Zhenzhong;
Yang, Meiding;
Liu, Mingyue;
Wang, Hai;
(2023)
Structures and Stabilities of Carbon Chain Clusters Influenced by Atomic Antimony.
Molecules
, 28
(3)
, Article 1358. 10.3390/molecules28031358.
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Toth, S;
Wu, W;
Adroja, DT;
Rayaprol, S;
Sampathkumaran, EV;
(2016)
Frustrated Ising chains on the triangular lattice in Sr3NiIrO6.
Physical Review B
, 93
, Article 174422. 10.1103/PhysRevB.93.174422.
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Tucker, M;
Liou, S-C;
Zondode, M;
Dampare, J;
Joseph, HC;
Ndaw, MS;
Hou, J;
... Lan, Y; + view all
(2021)
Boron carbide amorphous solid with tunable band gap.
Journal of Alloys and Compounds
, 861
, Article 157951. 10.1016/j.jallcom.2020.157951.
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Wang, Yuting;
Wu, Wei;
Choy, Kwang Leong;
(2022)
The optical spectra of DMAC based molecules for organic light‐emitting diodes: Hybrid‐exchange density functional theory study.
Journal of Physical Organic Chemistry
10.1002/poc.4386.
(In press).
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Wu, Q;
Wu, W;
Wu, Y;
Li, W;
Qiao, Y;
Wang, Y;
Wang, B;
(2018)
Controllable synthesis, crystal structure and magnetic properties of Monomer-Dimer Cocrystallized Mn-III Salen-type composite material.
Journal of Molecular Structure
, 1157
pp. 616-620.
10.1016/j.molstruc.2017.12.082.
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Wu, W;
Fisher, AJ;
(2021)
Excited states of a phosphorus pair in silicon: Combining valley-orbital interaction and electron-electron interactions.
Physical Review B
, 104
(3)
, Article 035433. 10.1103/PhysRevB.104.035433.
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Wu, W;
Greenland, PT;
Fisher, AJ;
Le, NH;
Chick, S;
Murdin, BN;
(2018)
Excited states of defect linear arrays in silicon: A first-principles study based on hydrogen cluster analogs.
Physical Review B
, 97
(3)
, Article 035205. 10.1103/PhysRevB.97.035205.
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Yin, Haoyu;
Wu, Wei;
Choy, Kwang Leong;
(2022)
Simulating the friction between atomic layers by using a two-q model: Analysis of the relative motion and coherence.
Tribology International
, 175
, Article 107816. 10.1016/j.triboint.2022.107816.
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Zhang, J;
Wang, X;
Zhou, L;
Liu, G;
Adroja, DT;
da Silva, I;
Demmel, F;
... Jin, C; + view all
(2022)
A Ferrotoroidic Candidate with Well-Separated Spin Chains.
Advanced Materials
, 34
(12)
, Article 2106728. 10.1002/adma.202106728.
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Zhu, J;
Wu, W;
Fisher, AJ;
(2021)
Multihole models for deterministically placed acceptor arrays in silicon.
Physical Review B
, 104
(12)
, Article 125415. 10.1103/PhysRevB.104.125415.
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Zhu, J;
Wu, W;
Fisher, AJ;
(2020)
Linear combination of atomic orbitals model for deterministically placed acceptor arrays in silicon.
Physical Review B
, 101
(8)
, Article 085303. 10.1103/PhysRevB.101.085303.
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Zou, T;
Wang, X;
Ju, H;
Wu, Q;
Guo, T;
Wu, W;
Wang, H;
(2018)
Crystal structure tuning in organic nanomaterials for fast response and high sensitivity visible-NIR photo-detector.
Journal Of Materials Chemistry C
, 6
(6)
pp. 1495-1503.
10.1039/c7tc04663d.
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Zou, T;
Wang, X;
Ju, H;
Zhao, L;
Guo, T;
Wu, W;
Wang, H;
(2018)
Controllable molecular packing motif and overlap type in organic nanomaterials for advanced optical properties.
Crystals
, 8
(1)
, Article 22. 10.3390/cryst8010022.
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Zou, T;
Zhang, J;
Huang, S;
Liu, C;
Qiu, R;
Wang, X;
Wu, W;
... Zhou, H; + view all
(2019)
Reduced graphene oxide-induced crystallization of CuPc interfacial layer for high performance of perovskite photodetectors.
RSC Advances
, 9
(7)
pp. 3800-3808.
10.1039/c8ra08864k.
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Proceedings paper
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Wu, Wei;
(2023)
A quantum circuit architecture based on the integration of nanophotonic devices and two-dimensional molecular network.
In:
Proceedings of SPIE: Quantum Technology: Driving Commercialisation of an Enabling Science III.
Society of Photo-Optical Instrumentation Engineers (SPIE)
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Working / discussion paper
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Zhu, Jianhua;
Wu, Wei;
(2023)
Topological properties of a one-dimensional excitonic model combining local excitation and charge transfer.
ArXiv
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