258 results on '"Zhang, Yong-Fan"'
Search Results
2. Theoretical study of transition metal atom pairs anchored in g-CN monolayers for ammonia decomposition
3. First-principles study of MoSSe_graphene heterostructures as anode for Li-ion batteries
4. Reactions of Thorium Oxide Clusters with Water: The Effects of Oxygen Content
5. On the structural and electronic properties of hexanuclear vanadium oxide clusters V6On−/0 (n = 12–15): Is V6O12 cluster planar or cage-like?
6. Theoretical studies on the electronic structures and photoelectron spectra of tri-rhenium oxide clusters: Re3[formula omitted] and Re3On (n = 1–6)
7. Oxidation of Pdn (n = 1–5) clusters on single vacancy graphene: A first-principles study
8. Effects of N-doping concentration on graphene structures and properties
9. Computational study on the molecular structures and photoelectron spectra of bimetallic oxide clusters [formula omitted] (M = V, Nb, Ta)
10. First-principles investigation of H2O on HfO2 (1 1 0) surface
11. Structures and Chemical Bonding in NbSn2−/−/0 (n = 3–5) Clusters: Effects of Sulfur Content and Charge States
12. Investigation of Ordered TiMC and TiMCT2 (M = Cr and Mo; T = O and S) MXenes as High-Performance Anode Materials for Lithium-Ion Batteries
13. Group VB transition metal oxide clusters M4O n −/0 (M = Nb, Ta; n = 8–11): structural evolution and chemical bonding
14. Reactions of Thorium Oxide Clusters with Water: The Effects of Oxygen Content.
15. A comparative study of CO catalytic oxidation on Pd-anchored graphene oxide and Pd-embedded vacancy graphene
16. Time-dependent density functional theory study on spectrum properties of Mg-doped GaN
17. Mild-temperature synthesis and first-principle fluorescence simulation of GaN nanoparticles
18. Energy Band Alignment and Redox‐Active Sites in Metalloporphyrin‐Spaced Metal‐Catechol Frameworks for Enhanced CO 2 Photoreduction
19. Energy Band Alignment and Redox‐active Sites in Metalloporphyrin‐Spaced Metal‐Catechol Frameworks for Enhanced CO2 Photoreduction
20. Electronic Properties and Chemical Bonding of O-Rich Clusters MM′O7 − (M, M′ = V, Nb, Ta)
21. First-principles calculations of ethanethiol adsorption and decomposition on GaN (0 0 0 1) surface
22. Density functional theory study on electronic structure of N-doped In 2O 3
23. Theoretical analysis on yellow emission of gallium nitride with vacancy defects or impurities
24. Understanding the Role of Various Dopant Metals (Sb, Sn, Ga, Ge, and V) in the Structural and Electrochemical Performances of LiNi0.5Co0.2Mn0.3O2
25. Theoretical study of O 2 adsorption and reactivity on single-walled boron nitride nanotubes
26. First-principles calculations of N 2O adsorption and decomposition on GaN (0 0 0 1) surface
27. Defective BC2N as an Anode Material with Improved Performance for Lithium-Ion Batteries
28. Selective oxidation of the TiC (001) surface by O2: determined by the surface states
29. A DFT study of O 2 adsorption on periodic GaN (0 0 0 1) and [formula omitted] surfaces
30. Theoretical study of the hydroboration reaction of disilenes with borane
31. The interaction of X 2 (X = F, Cl, and Br) with active sites of graphite
32. Pressure induced reactivity change on the side-wall of a carbon nanotube: A case study on the addition of singlet O 2
33. Blue-AsP monolayer as a promising anode material for lithium- and sodium-ion batteries: a DFT study
34. Effects of doping high-valence transition metal (V, Nb and Zr) ions on the structure and electrochemical performance of LIB cathode material LiNi0.8Co0.1Mn0.1O2
35. Understanding the Efficiency and Selectivity of Two-Electron Production of Metalloporphyrin-Embedded Zirconium–Pyrogallol Scaffolds in Electrochemical CO2 Reduction
36. Exploring the Reaction Mechanism of H2S Decomposition with MS3 (M = Mo, W) Clusters
37. Iron-Based Metal–Organic Frameworks as Platform for H2S Selective Conversion: Structure-Dependent Desulfurization Activity
38. Investigating the role of cationic vacancy on the MgO (0 0 1) defect surface: Embedded cluster models study
39. Adsorption and decomposition of FCN on Si (100)-(2×1) surface: A density functional theory study
40. Cluster models study of CH 2O adsorption and dissociation at defect sites of MgO (0 0 1) surface
41. Chemisorption of OCN on Cu (100) surface: a density functional study
42. Energy Band Alignment and Redox‐Active Sites in Metalloporphyrin‐Spaced Metal‐Catechol Frameworks for Enhanced CO2 Photoreduction.
43. Cl 2 adsorption on MgO(001) surface supported sodium monolayers: a density functional theory study
44. BC2N/Graphene Heterostructure as a Promising Anode Material for Rechargeable Li-Ion Batteries by Density Functional Calculations
45. Effects of doping high-valence transition metal (V, Nb and Zr) ions on the structure and electrochemical performance of LIB cathode material LiNi0.8Co0.1Mn0.1O2.
46. Nitrous Oxide Decomposition Catalyzed by Au19Pd and Au19Pt Clusters
47. Stability of Doped C50 and C70 Based on Curvature and Electronic Structures
48. A density functional study on the electronic structures of TiX (X=C, N, O). Part II. Investigations on the electronic structures of TiC bulk and surfaces
49. A density functional study on the electronic structures of TiX (X=C, N, O). Part I. The electronic structures and bonding properties of TiN bulk and (001) surface
50. A chemical-bond-driven edge reconstruction of Sb nanoribbons and their thermoelectric properties from first-principles calculations
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.