Get started
Author

Fangyu Guo

First-principles study of adsorption and diffusion of oxygen on surfaces of TiN, ZrN and HfN
2018 · Fangyu Guo, Jianchuan Wang, et al. · Applied Surface Science · 54
Adsorption and dissociation of H2O on Al(1 1 1) surface by density functional theory calculation
2014 · F.Y. Guo, C.G. Long, et al. · Applied Surface Science · 39
Theoretical calculation guided materials design and capture mechanism for Zn–Se batteries via heteroatom‐doped carbon
2022 · Hongrui Wang, Kang Lai, et al. · Carbon Neutralization · 37
PDF
Impact of V, Hf and Si on oxidation processes in Ti–Al–N: Insights from ab initio molecular dynamics
2019 · Fangyu Guo, David Holec, et al. · Surface and Coatings Technology · 36
Effects of Ce and La elements on interfacial bonding, thermal damage and mechanical performance of brazed diamonds with Ni Cr filler alloy
2021 · Jian Zhang, Xin Li, et al. · International Journal of Refractory Metals and Hard Materials · 35
Structural evolution of oxygen on the surface of TiAlN: Ab initio molecular dynamics simulations
2018 · Fangyu Guo, Jianchuan Wang, et al. · Applied Surface Science · 34
Cu-induced enhancement of interfacial bonding for brazed diamond grits with Ni Cr filler alloys
2022 · Qi Xu, Jian Zhang, et al. · International Journal of Refractory Metals and Hard Materials · 27
Oxidation resistance of TiSiN and AlCrN hard-coatings: Ab initio calculations and experiments
2023 · Jing Xie, Jianchuan Wang, et al. · Applied Surface Science · 17
Effect of coatings on thermal conductivity and tribological properties of aluminum foam/polyoxymethylene interpenetrating composites
2019 · Peiran Dong, Chunguang Long, et al. · Journal of Materials Science · 15
Point defects and hydrogen-permeation behavior of MAX phase Cr2AlC coating by first-principles studies
2023 · Weidong Ling, Kang Lai, et al. · Nuclear Materials and Energy · 14
Toward accurate electronic, optical, and vibrational properties of hexagonal Si, Ge, and Si1−xGex alloys from first-principle simulations
2021 · Nanyun Bao, Fangyu Guo, et al. · Journal of Applied Physics · 14
The effect of graphene on the dehydrogenation properties of MgH2: Insights from DFT calculations
2025 · Bo Han, Jianchuan Wang, et al. · International Journal of Hydrogen Energy · 10
Thermodynamic descriptions of the Ag-X (X = S, As, Lu) systems
2018 · Chenying Shi, Yong Du, et al. · Calphad · 10
Microstructure evolution under thermo-mechanical operating of rocksalt-structure TiN via neural network potential
2023 · Fangyu Guo, Bo Chen, et al. · The Journal of Chemical Physics · 7
Twist angle dependent high degree of anisotropic emission and phonon scattering in WS 2 /NbOCl 2 heterostructures
2025 · Mingyi Xu, Xinhui Yang, et al. · Nanoscale · 6
Inhibition Behavior for the Oxidation of Si‐Doped Fe 3 O 4 : A Combined Ab Initio Molecular Dynamics and Experimental Study
2024 · Yaozu Wang, Xurui Liu, et al. · steel research international · 4
Structures and properties of uranium–niobium intermetallic compounds under high pressure: A first principles study
2023 · Nanyun Bao, Qunchao Tong, et al. · Journal of Applied Physics · 4
First-principles study of Mn antisite defect in Li 2 MnO 3
2021 · Shiwei Zhang, Jianchuan Wang, et al. · Journal of Physics Condensed Matter · 4
Mechanistic Insights into the Effect of Ca on the Oxidation Behavior of Fe3O4: A Combined DFT and AIMD Study
2025 · Huiqing Jiang, Yaozu Wang, et al. · Metals
PDF
Composition-Dependent Structural and Mechanical Properties Of (Mositivzr)N High-Entropy Nitride Ceramics: A First-Principles Investigation
2025 · Linkun Zhang, Jianchuan Wang, et al. · SSRN Electronic Journal
Tailoring Strength-Ductility Balance in (MoVZrSiTix)N High-Entropy Nitrides via Ti Content Modulation: Insights from First-principles Calculations
2025 · Linkun Zhang, Jianchuan Wang, et al. · SSRN Electronic Journal
Interface Engineering Hybrid [email protected] Structures for Flexible Energy Storage and Alkaline Water Splitting
2022 · Wen-Duo Yang, Rong-Da Zhao, et al. · SSRN Electronic Journal
O2 Adsorption on Fe3o4 (110) Surface and the Effect of Gangue Element Al Doping--Combined Study of Binding Experiment and Aimd
2022 · huiqing jiang, Jianliang Zhang, et al. · SSRN Electronic Journal
Towards Full Ab Initio Simulations of Mechanical Response of Ti-N Binary System Under Extremely Operational Conditions Via Neural Network Potential
2022 · Fangyu Guo, Bo Chen, et al. · SSRN Electronic Journal
Works count: 24
Citation count: 367
H-index: 11
I10-index: 13
Year
Topic
Type