902 results on '"Wu, Shao-Yi"'
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2. Theoretical screening of single transition-metal atoms anchored Janus MoSSe monolayers as efficient electrocatalysts for nitrogen fixation
3. A first-principles research on the properties of two-dimensional penta-BP2 as an anode material for both Na and K ion batteries
4. [formula omitted]-[formula omitted] hybridization promotes the high-efficiency hydrogen evolution reaction in Heusler alloys Co2TiAl and Co2TiGa
5. Density functional theory studies on the structures and NO molecule adsorption and dissociation of RhmPdn (m + n = 13) clusters
6. Quantum capacitance, structural, optical and electronic properties of Zr2CT2 (T = F, P, Cl, Se, Br, O, S, OH) MXenes: A DFT study
7. A study on the single atom Cu adsorbed Janus MoSSe monolayer as the catalyst for reduction of CO2 to HCOOH
8. The Studies on the Structures and Properties of P2On (n = 1–10) Clusters by Density Functional Theory
9. Density Functional Study on the Hydrogenation of Phosphorus Oxides: Structural, Electronic, and Spectral Properties
10. First-principles studies of the two-dimensional 1H-BeP2 as an electrode material for rechargeable metal ion (Li+, Na+, K+) batteries
11. s-dz2 hybridization promotes the high-efficiency hydrogen evolution reaction in Heusler alloys Co2TiAl and Co2TiGa
12. First-Principles Studies of the Adsorption and Catalytic Properties for Gas Molecules on h-BN Monolayer Doped with Various Transition Metal Atoms
13. Machine learning study of the relationship between the geometric and entropy discord
14. The freezing R\`enyi quantum discord
15. Theoretical investigations on structural, electronic, adsorptive and catalytic properties of BiPdn (n = 2 - 20) bimetallic nanoclusters
16. Single noble metals (Pd, Pt and Ir) anchored Janus MoSSe monolayers: Efficient oxygen reduction/evolution reaction bifunctional electrocatalysts and harmful gas detectors
17. Theoretical examination of defect structures and spin Hamiltonian parameters of manganese (II)- and cobalt (II)-doped ZnO nanowires
18. Density functional theory study of BiRun (n = 3–20) clusters: Structural, electronic and adsorptive properties for hazardous gases
19. Theoretical studies on the concentration dependences of optical spectra and spin Hamiltonian parameters for V4+ in CdO–SrO–B2O3–SiO2 glasses
20. An Investigation of Local Structures and Spin Hamiltonian Parameters for Cu2+ in xBaO–(30–x)TeO2–10TiO2–58B2O3 Glasses.
21. Investigations on the defect structures for Mn2+ in CdSe nanocrystals and bulk materials and the criterion of occupation for Mn2+ in CdX (X = S, Se, Te) nanocrystals.
22. Janus WSSe monolayer adsorbed with transition-metal atoms (Fe, Co and Ni): excellent performance for gas sensing and CO catalytic oxidation
23. Investigations of defect structures for V4+ in CBPB glasses with distinct V2O5 contents
24. Pseudogap evidenced by Cu EPR in the normal state of Ortho-III YBa2Cu3O7-x
25. Theoretical analysis on lead halides content dependences of defect structures and spin Hamiltonian parameters in lead halo borate glass composites with V2O5 dopants
26. Theoretical investigations on the defect structures and g factors for W5+ in lead bismuth arsenate glasses
27. DFT calculations of the local structures and the EPR parameters for Rh2+ doped AO (A = Mg, Ca) crystals
28. Theoretical investigations on the EPR parameters and local structures for V4+ in alkali niobium borate glasses
29. DFT studies for three Cu(II) coordination polymers: Geometrical and electronic structures, g factors and UV–visible spectra
30. First-principles investigation on the mechanism of photocatalytic properties for cubic and orthorhombic KNbO3
31. Theoretical study of the local structures and the EPR parameters for RLNKB glasses with VO2+ and Cu2+ dopants
32. Theoretical study of local structures and EPR parameters for xV2O5-(100 − x)[0.8NaPO3-0.2ZnO]: V4 + glasses at different concentrations
33. Investigations of g Factors and Local Structures for Cu(en)\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$_{3}^{{2 + }}$$\end{document}Groups in Cu(en)3SO4 and Cu(en)3Cu(CN)3 Polycrystalline Powders
34. First-principles investigation on the structural, elastic and electronic properties and mechanism on the photocatalytic properties for SrNbO3 and Sr0.97NbO3
35. Theoretical investigation of the structural, electronic, magnetic and spectral properties of CumXn (X = Se, Te; m + n = 5) clusters
36. The investigation of the defect structures for Co2+ in ZnO microwires, thin films and bulks
37. Theoretical studies of the defect structures for the two Cr3+ centers in KCl
38. Investigations on the spin Hamiltonian parameters and the local structures for the irradiation induced Rh2+ and Rh0 centres in NH4Cl
39. Pseudogap of Ortho-III YBa2Cu3O7−x from Cu EPR investigation
40. First-principles study of AuSn (2 ≤ n ≤ 7) clusters: structural, electronic, magnetic, spectral properties, and adsorption properties with O2 and H2O
41. Density functional theory studies on the structures and NO molecule adsorption and dissociation of RhmPdn (m + n = 13) clusters.
42. Theoretical Investigations of the Spin Hamiltonian Parameters for the Mononuclear Square Pyramidal [CuO5] Groups in Two Paddle Wheel Copper Complexes
43. Studies of the local lattice distortions for the various rhombic Ru3+ centres in AgX (X = Cl and Br)
44. Investigations on the EPR parameters and defect structures for Cu2+ in alkaline earth zinc borate glasses
45. Investigations on the local structures and spin Hamiltonian parameters for the orthorhombic Rh2+ centers R4 and R5 in AgCl microcrystals
46. An investigation of the local distortions and the EPR parameters for Cu2+ in 40MgO–(10−x)PbF2–50SiO2–xCuO glasses
47. Theoretical studies of the concentration dependences of g factor and d-d transition band for Cr3 + in CdO–SrO–B2O3–SiO2 glasses
48. Studies of the spin Hamiltonian parameters and defect structures for Ag2+ in NaF and CsCdF3 crystals
49. Studies of the local distortions for nd1 (Mo5+ and W5+) impurities in KTP crystals
50. Studies on the spin Hamiltonian parameters and the defect structures for the two interstitial tetragonal Cu2+ centers in the ZnO nanocrystals
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