Electrochemistry · Energy Materials · Computational Modeling

B.Eng. in Metallurgical Engineering, KUST
Incoming M.S. Student in Chemistry, USTC

I am Yusheng Gong, an early-career researcher working at the intersection of electrochemistry, energy materials, chemical engineering, and computational modeling.

• 🎓 B.Eng. in Metallurgical Engineering Kunming University of Science and Technology — KUST

• 🔬 Incoming M.S. Student in Chemistry / Physical Chemistry University of Science and Technology of China — USTC, starting September 2026

• ⚡ My current research focuses on lithium-mediated electrochemical ammonia synthesis, with particular interest in electrolyte regulation, functional interphases, continuous-flow reactors, proton economy, and system-level energy efficiency.

• 🔋 My previous research focused on lithium-ion battery anodes, oxalate-based electrode materials, graphene composites, MAX phases and their derivatives, and graphite recovery from spent lithium-ion batteries.

• 💻 I am developing reproducible computational workflows combining electrochemical experiments, multiphysics simulation, electronic-structure calculations, data analysis, and scientific visualization.

• Lithium-mediated electrochemical ammonia synthesis
• Continuous-flow electrochemical reactors
• Electrocatalysis and electrochemical engineering
• Electrolyte solvation and functional interphases
• Proton-economy and hydrogen oxidation reaction coupling
• Lithium-ion battery electrode materials
• MAX phases, MXene-like derivatives, and porous materials
• Battery recycling and spent-graphite recovery
• Density functional theory and molecular simulation
• Multiphysics modeling and computational fluid dynamics
• Materials informatics and reproducible scientific workflows

1. Yusheng Gong, Keyu Zhang, Ziyuan Ding, Xiaoyue Shi, Yaochun Yao, Rui Yan, Bin Yang, Zhaoyi Wang, and Ying Zeng. Toward Ultrastable Lithium Storage of NiC₂O₄/rGO Composites Enabled by Rational Design from Synergistic Micromorphology and Crystal Orientation. ACS Applied Energy Materials, 2025. DOI: 10.1021/acsaem.5c01309

2. Yusheng Gong, Keyu Zhang, Jinheng Wu, Xiangyang Zhou, Ziyuan Ding, Guangjian Zhao, Yuhang Tao, Shixin Wang, Bin Yang, and Yaochun Yao. Advances in the Separation and Purification of Graphite Anodes for Spent Lithium-Ion Batteries. Journal of Energy Storage, 2026, 171, 122953. DOI: 10.1016/j.est.2026.122953

3. Zengmou Li, Qing Zhao, Keyu Zhang, Dingfang Cui, Keqi Chen, Yusheng Gong, Shaoze Zhang, Yin Li, Junxian Hu, Bin Yang, and Yaochun Yao. Achieving Super Lithium Storage of FeC₂O₄/Gs Composites with Dual-Level Structured Graphene Sheets through Electrostatic Adherence. Journal of Materials Chemistry C, 2024, 12, 15012–15023. DOI: 10.1039/D4TC02188F

4. Minghao Ye, Yusheng Gong, Keyu Zhang, Binbin Li, Yaguang Zhang, Xiangyang Zhou, Bin Yang, and Yaochun Yao. Progress on the Regeneration and Application of Graphite Anodes for Retired Lithium-Ion Batteries. Progress in Chemistry, 2026, 38(5), 957–973. DOI: 10.7536/PC20251120

View my complete and updated publication record on ORCID →

I am investigating lithium-mediated ammonia electrosynthesis as a coupled multiscale system involving:

• Lithium deposition and nitrogen activation
• Electrolyte solvation and steady-state operating windows
• Solid–electrolyte interphase formation and renewal
• Proton-donor transport and hydrogen-evolution suppression
• Hydrogen oxidation reaction coupling
• Gas-diffusion electrodes and multiphase transport
• Continuous-flow reactor design
• Ammonia outlet state, capture, and quantification
• Cell-to-reactor-to-process energy accounting

My materials research includes:

• Ti₂SC and V₂PC precursor systems
• MAX and MAX-like phases
• Molten-salt synthesis and electrochemical etching
• Porous and two-dimensional derivatives
• Structure–chemistry–morphology evolution
• Lithium- and sodium-storage mechanisms
• Defect chemistry, surface termination, and interfacial kinetics

My work also covers:

• Separation and purification of spent graphite anodes
• Mechanical, thermal, chemical, and electrochemical recovery routes
• Flotation and liberation behavior
• Binder and electrolyte-residue removal
• Graphite regeneration and reuse
• Life-cycle, techno-economic, and process-boundary analysis

• Coin-cell fabrication and glovebox operation
• Electrode slurry preparation and coating
• Cyclic voltammetry — CV
• Electrochemical impedance spectroscopy — EIS
• Galvanostatic intermittent titration technique — GITT
• Linear sweep voltammetry — LSV
• Open-circuit voltage analysis — OCV
• Differential-capacity analysis — dQ/dV
• Rate-performance and long-term cycling evaluation
• Equivalent-circuit fitting and kinetic interpretation

• Scanning electron microscopy — SEM
• Transmission electron microscopy — TEM
• X-ray diffraction — XRD
• X-ray photoelectron spectroscopy — XPS
• Raman spectroscopy
• Brunauer–Emmett–Teller surface-area analysis — BET
• Thermogravimetric analysis — TGA
• Structure–property and interface–performance correlation

• COMSOL Multiphysics
• Quantum ESPRESSO
• Density functional theory workflow development
• Electrochemical transport modeling
• Reaction–transport coupling
• Porous-electrode and continuous-flow reactor modeling
• Molecular-dynamics and microkinetic-model development

• Python and R for data cleaning, regression, visualization, and modeling
• Git and GitHub for version control and research-code management
• Linux and WSL-based scientific-computing environments
• Automated literature processing and evidence mapping
• Reproducible analysis pipelines
• Scientific figure generation and vector-graphics workflows
• LaTeX manuscript preparation and bibliography management

• OriginPro
• ZView
• COMSOL Multiphysics
• Quantum ESPRESSO
• VESTA
• RStudio
• Visual Studio Code
• Git and GitHub
• LaTeX
• EndNote and Zotero

Scientific question
        ↓
Systematic literature review
        ↓
Experimental design and electrochemical testing
        ↓
Materials characterization
        ↓
DFT / molecular simulation / multiphysics modeling
        ↓
Statistical and machine-learning analysis
        ↓
Mechanistic interpretation
        ↓
Reproducible manuscript and data release

• Advanced density functional theory
• Ab initio and classical molecular dynamics
• Electrochemical microkinetic modeling
• Nernst–Planck and Butler–Volmer coupling
• Gas–liquid–solid multiphase transport
• Continuous-flow reactor simulation
• Machine learning for materials and electrochemistry
• Process-level energy and techno-economic analysis
• Publication-grade scientific visualization

I am interested in collaboration on:

• Electrochemical ammonia synthesis
• Lithium-mediated nitrogen reduction
• Electrolyte and interphase engineering
• Continuous-flow electrochemical reactors
• Computational electrochemistry
• Battery electrode materials
• MAX phases and two-dimensional derivatives
• Spent-battery graphite recovery
• Reproducible scientific software and research automation

For academic communication, please contact me through GitHub or ORCID.

Connecting electrochemical experiments, computational modeling, and system-level engineering.

© Yusheng Gong