Penghao Xiao

Dalhousie University — Canada

Engineering · Physical Sciences

34h-index5.9kcitations94works2.32yr avg
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Research Topics

Advancements in Battery Materials(39), Advanced Battery Materials and Technologies(30), Semiconductor materials and devices(12), Extraction and Separation Processes(9), Machine Learning in Materials Science(8)

Publications94 total

Evaluation of Foundational Machine Learned Interatomic Potentials for Migration Barrier Predictions
arXiv (Cornell University)·2025Open Access
Chromium versus Aluminum: Impact of Nickel Alloy Composition and Interfacial Kinetics on High-Temperature Passivating Oxide Formation
Journal of the American Chemical Society·2025
Effect of dihydrazide compounds with different side-chain substituents on the crystallization behavior and mechanical properties of isotactic polypropylene
Journal of Thermal Analysis and Calorimetry·2025
Construction of hierarchically porous Mg-MOF-74 by defect engineering for high-efficiency CO₂ adsorption under ambient conditions
Chemical Engineering Journal·2025· 3 cited
Vehicle trajectory prediction based on driving style classification
Journal of Transportation Safety & Security·2025
A Novel Quantification Method for High Voltage Structural Evolution in Sodium and Lithium Layered Oxides
Advanced Energy Materials·2025· 2 citedOpen Access
Thermally induced structural competitiveness and metastability of body-centered-cubic iron under nonequilibrium conditions
Physical review. B./Physical review. B·2025· 2 citedOpen Access
Prediction model for oil seal performance parameters based on PSO-MLP-KAN
AIP Advances·2025Open Access
Capacity Decay in LiNiO <sub>2</sub> : An Atomistic Kinetic Picture
ACS Energy Letters·2025· 5 cited
Atomic-scale understanding of oxide growth and dissolution kinetics of Ni-Cr alloys
Nature Communications·2025· 8 citedOpen Access
Corrosion Behavior of Additively Manufactured PH Steels in Simulated Reactor Environments
SSRN Electronic Journal·2025Open Access
Tailoring Corrosion Resistance in NiCr Alloys: Distinct Roles of Mo Against H+ and Cl− Attacks
SSRN Electronic Journal·2025Open Access
Magnesium thermal reduction of phytolith for high-performance three-dimensional hierarchical C/Si@Si nanoparticle@reduced graphene oxide composite anodes
New Journal of Chemistry·2025· 1 cited
Capacity Decay in LiNiO2: An Atomistic Kinetic Picture
2024Open Access
Electrochemical Oxidation of Reverse Osmosis Concentrates from Landfill Leachate Treatment Using Ti4O7-Nanotube Reactive Electrochemical Membrane
Water·2024· 4 citedOpen Access
Capacity Decay in LiNiO2: An Atomistic Kinetic Picture
2024Open Access
First-Principles Kinetic Monte Carlo Modeling of Passivation in Ni-Based Alloys
ECS Meeting Abstracts·2024
Substituting Na for Excess Li in Li<sub>1+x</sub>(Ni<sub>0.6</sub>Mn<sub>0.4</sub>)<sub>1−x</sub>O<sub>2</sub> Materials
Journal of The Electrochemical Society·2024· 2 citedOpen Access
Development of a machine learning interatomic potential for exploring pressure-dependent kinetics of phase transitions in germanium
The Journal of Chemical Physics·2024· 3 citedOpen Access
Atomistic Origins of Asymmetric Charge–Discharge Kinetics in Off-Stoichiometric LiNiO<sub>2</sub>
Chemistry of Materials·2024· 5 cited
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Frequent Co-authors

Graeme Henkelman(30), John B. Goodenough(10), Gerbrand Ceder(8), Kyusung Park(5), Xin Lian(4), Keith J. Stevenson(4), Jie Song(3), Tan Shi(3), Shannon K. Stauffer(3), Qing Chen(3), Yi Pei(3), Liang Zhen(3), Cheng‐Yan Xu(3), J. R. Dahn(3), Chongyin Yang(3), Renlong Liu(3), Daniel Sheppard(2), Long Wang(2), Matteo Bianchini(2), Yan Wang(2)