DPA-2: Towards a universal large atomic model for molecular and material simulation

Angstrom-Scale Electrochemistry at Electrodes with Dimensions Commensurable and Smaller than Individual Reacting Species

Toward a molecular understanding of the conductivity of lithium-ion conducting polyanion polymer electrolytes by molecular dynamics simulation

Water effect on the band edges of anatase TiO₂ surfaces: A theoretical study on charge migration across surface heterojunctions and facet-dependent photoactivity

2023 Roadmap on molecular modelling of electrochemical energy materials

Language Learning Motivations among Turkish Learners of Chinese as a Foreign Language: A Survey of Five Universities in Turkey

ChecMatE: A workflow package to automatically generate machine learning potentials and phase diagrams for semiconductor alloys

Understanding the solvation structures of glyme-based electrolytes by machine learning molecular dynamics

Molecular understanding of cation effects on double layers and their significance to CO-CO dimerization

Interstitial carbon atoms enhance both selectivity and activity of rhodium catalysts toward C-C cleavage in direct ethanol fuel cells

Electrochemistry in non-conventional electrolytes

Characterizing surface-confined interfacial water at graphene surface by<i> in</i><i> situ</i> Raman spectroscopy

Molecular insight into the GaP(110)-water interface using machine learning accelerated molecular dynamics

Deciphering the Anomalous Acidic Tendency of Terminal Water at Rutile(110)-Water Interfaces

Electrochemical regulation of the band gap of single layer graphene: from semimetal to semiconductor

Direct observation of the dynamic reconstructed active phase of perovskite LaNiO₃ for the oxygen-evolution reaction

Band Alignment of 2D Material-Water Interfaces

Correlate phonon modes with ion transport <i>via</i> isotope substitution

Molecular understanding of the Helmholtz capacitance difference between Cu(100) and graphene electrodes

Switching of Redox Levels Leads to High Reductive Stability in Water-in-Salt Electrolytes

Enhancing hydrodeoxygenation-isomerization of FAME over M-SAPO-11 in one-step process: Effect of in-situ isomorphic substitution of transition metals and synergy of PtxSny alloy

Constructing the V_o-TiO₂/Ag/TiO₂ Heterojunction for Efficient Photoelectrochemical Nitrogen Reduction to Ammonia

Adjusting oxygen vacancies in perovskite LaCoO3 by electrochemical activation to enhance the hydrogen evolution reaction activity in alkaline condition

Constructing the V-o-TiO2/Ag/TiO2 Heterojunction for Efficient Photoelectrochemical Nitrogen Reduction to Ammonia

Enhanced photocatalytic hydrogen evolution over protonated g-C₃N₄ using NiCoP as a cocatalyst