about
Unveiling the electrochemical mechanisms of Li2Fe(SO4)2 polymorphs by neutron diffraction and density functional theory calculations.Atomic-level energy storage mechanism of cobalt hydroxide electrode for pseudocapacitorsMolecular switches from benzene derivatives adsorbed on metal surfaces.A molecular perspective of water at metal interfaces.Assessment of van der Waals inclusive density functional theory methods for layered electroactive materials.Trends in water monomer adsorption and dissociation on flat insulating surfaces.Investigation of sodium insertion-extraction in olivine NaxFePO4 (0 ≤x≤ 1) using first-principles calculations.The interplay of covalency, hydrogen bonding, and dispersion leads to a long range chiral network: The example of 2-butanol.First-Principles Study of Sodium Intercalation in Crystalline Na x Si24 (0 ≤ x ≤ 4) as Anode Material for Na-ion BatteriesHydrogen-bonded assembly of methanol on Cu(111).Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces.Dry Reforming of Methane on a Highly-Active Ni-CeO2 Catalyst: Effects of Metal-Support Interactions on C-H Bond Breaking.In situ and theoretical studies for the dissociation of water on an active Ni/CeO2 catalyst: importance of strong metal-support interactions for the cleavage of O-H bonds.Hydrogen activation, diffusion, and clustering on CeO₂(111): a DFT+U study.Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces.A one-dimensional ice structure built from pentagons.When the reporter induces the effect: unusual IR spectra of CO on Au1/MgO(001)/Mo(001).Ultrahigh Performance All Solid-State Lithium Sulfur Batteries: Salt Anion's Chemistry-Induced Anomalous Synergistic EffectVibrational and electron paramagnetic resonance properties of free and MgO supported AuCO complexesDynamic Ion Pairs in the Adsorption of Isolated Water Molecules on Alkaline-Earth Oxide (001) SurfacesUltralow-Density Nanocage-Based Metal-Oxide PolymorphsBulk and surface oxygen vacancy formation and diffusion in single crystals, ultrathin films, and metal grown oxide structuresOptical absorption and luminescence energies of F centers in CaO fromab initioembedded cluster calculationsOn the convergence of isolated neutral oxygen vacancy and divacancy properties in metal oxides using supercell modelsFirst Principles Analysis of the Stability and Diffusion of Oxygen Vacancies in Metal OxidesStructure and energetics of hydrogen-bonded networks of methanol on close packed transition metal surfacesThe role of van der Waals forces in water adsorption on metalsBenzene adsorbed on metals: Concerted effect of covalency and van der Waals bondingWater-hydroxyl phases on an open metal surface: breaking the ice rulesc(2×2)Water-Hydroxyl Layer on Cu(110): A Wetting Layer Stabilized by Bjerrum DefectsThe Energy of Hydroxyl Coadsorbed with Water on Pt(111)To Wet or Not to Wet? Dispersion Forces Tip the Balance for Water Ice on MetalsVisualization of Hydrogen Bonding and Associated Chirality in Methanol HexamersLocal Investigation of Femtosecond Laser Induced Dynamics of Water Nanoclusters on Cu(111)Manipulation and Control of Hydrogen Bond Dynamics in Absorbed Ice NanoclustersVariation in surface energy and reduction drive of a metal oxide lithium-ion anode with stoichiometry: a DFT study of lithium titanate spinel surfacesSodium–Oxygen Battery: Steps Toward RealityElectronic Structure of Sodium Superoxide Bulk, (100) Surface, and Clusters using Hybrid Density Functional: Relevance for Na-O2 BatteriesMagnetism of NaFePO4 and related polyanionic compoundsChirality at two-dimensional surfaces: A perspective from small molecule alcohol assembly on Au(111)
P50
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Javier Carrasco
@ast
Javier Carrasco
@en
Javier Carrasco
@es
Javier Carrasco
@nl
Javier Carrasco
@sl
type
label
Javier Carrasco
@ast
Javier Carrasco
@en
Javier Carrasco
@es
Javier Carrasco
@nl
Javier Carrasco
@sl
prefLabel
Javier Carrasco
@ast
Javier Carrasco
@en
Javier Carrasco
@es
Javier Carrasco
@nl
Javier Carrasco
@sl
P1053
I-5488-2015
P106
P21
P31
P3829
P496
0000-0003-3117-6933