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

Electrochemistry in non-conventional electrolytes

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

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

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

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