Browsing by Author "Le, Jiabo"
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Item Determining Potentials of Zero Charge of Metal Electrodes versus the Standard Hydrogen Electrode from Density-Functional-Theory-Based Molecular Dynamics(2017-07-07) Le, Jiabo; Iannuzzi, Marcella; Cuesta, Angel; Cheng, Jun; University of Aberdeen.Natural & Computing Sciences; University of Aberdeen.Chemistry; University of Aberdeen.Energy; University of Aberdeen.Centre for Energy TransitionItem The structure of metal-water interface at the potential of zero charge from density functional theory-based molecular dynamics(2018-06-15) Le, Jiabo; Cuesta Ciscar, Angel; Cheng, Jun; University of Aberdeen.Natural & Computing Sciences; University of Aberdeen.Energy; University of Aberdeen.Centre for Energy Transition; University of Aberdeen.ChemistryItem Theoretical insight into vibrational spectra of metal-water interfaces from density functional theory based molecular dynamics(2018) Le, Jiabo; Fan, Qiyuan; Perez-Martinez, Laura; Cuesta Ciscar, Angel; Cheng, Jun; University of Aberdeen.Natural & Computing Sciences; University of Aberdeen.Centre for Energy Transition; University of Aberdeen.ChemistryItem Water at electrode-electrolyte interfaces : combining HOD vibrational spectra with ab initio-molecular dynamics simulations(2024-11-14) Gunasekaran, Pavithra; Du, Xianglong; Burley, Andrew; Le, Jiabo; Cheng, Jun; Cuesta, Angel; University of Aberdeen.Natural & Computing Sciences; University of Aberdeen.Centre for Energy Transition; University of Aberdeen.Chemistry