Year of publication
Type of media
Type of material
Licence
Language
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Modulating the electronic transport properties of zigzag phosphorene nanoribbons through the coupling with the chromium triiodide molecules
Elsevier | 2024|Keywords: 31.15.es -
First principles study on geometric and electronic properties of two-dimensional Nb2CT x MXenes
IOP Institute of Physics | 2022|Keywords: 31.15.es -
First-principles study of electronic structure and magnetic properties of Sr3Fe2O5 oxide*
Project supported by the National Natural Science Foundation of China (Grant No. 11964039) and Xinjiang “Hundred Young Doctors Introduction Program” Project, China (Grant No. 3010010111).
IOP Institute of Physics | 2021|Keywords: 31.15.es -
Stability and optoelectronic property of lead-free halide double perovskite Cs2 B′BiI6 (B′ = Li, Na and K)*
Project supported by the National Natural Science Foundation of China (Grant No. 11864008) and Guangxi Natural Science Foundation, China (Grant Nos. 2018GXNSFAA138185, 2018AD19200, and 2019GXNSFGA245006).
IOP Institute of Physics | 2021|Keywords: 31.15.es -
Electronic structures and topological properties of TeSe2 monolayers*
Project supported by the National Natural Science Foundation of China (Grant Nos. 11574051 and 11874117) and Natural Science Foundation of Shanghai, China (Grant No. 21ZR1408200).
IOP Institute of Physics | 2021|Keywords: 31.15.es -
The formation of H2S on metal-modified graphene under hydrogen environments
Taylor & Francis Verlag | 2016|Keywords: 31.15.es -
Reaction intermediates in the catalytic Gif-type oxidation from nuclear inelastic scattering
Springer Verlag | 2016|Keywords: 31.15.es -
Performance assessment of density functional theory-based models using orbital momentum distributions
Taylor & Francis Verlag | 2012|Keywords: 31.15.es -
A-centers and isovalent impurities in germanium: Density functional theory calculations
Elsevier | 2011|Keywords: 31.15.es -
Transition metal sulfide clusters below the cluster–platelet transition: Theory and experiment
Wiley | 2010|Keywords: 31.15.es -
The thermodynamic stability and simulated STM images of graphene nanoribbons
Wiley | 2009|Keywords: 31.15.es -
First-principles investigation of site preference and bonding properties of neutral H in 3C–SiC
Elsevier | 2009|Keywords: 31.15.es -
A first-principles study of π-conjugated thiol phenothiazine derivatives adsorbed on Au(111) surface
Free accessDOAJ | 2009|Keywords: 31.15.es -
Stability of gold cages (Au16 and Au17) at finite temperature
Springer Verlag | 2009|Keywords: 31.15.es -
Structures, energetics and magnetic properties of (NiSn) n clusters with n = 1–6
Springer Verlag | 2009|Keywords: 31.15.es -
Chemisorption of CO and H on Pd, Pt and Au nanoclusters: a DFT approach
Springer Verlag | 2009|Keywords: 31.15.es Applications of density-functional theory
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