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https://doi.org/10.2139/ssrn.4685652

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Exploiting the Kubas Interaction in the Design of Hydrogen Storage Materials
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Recent Advances in Hydrogenation Reactions Using Bimetallic Nanocatalysts: A Review
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Dissociation of SO2on Au/TiC(001): Effects of Au–C Interactions and Charge Polarization
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Synergistic Catalysis over Bimetallic Alloy Nanoparticles
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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
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Development strategies in transition metal carbide for hydrogen evolution reaction: A review
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Hydrogenation of polyethylene terephthalate to environmentally friendly polyester over Vulcan XC-72 carbon supported Rh-Pt bimetallic catalyst
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Recent advances in the electrochemical hydrogenation of unsaturated hydrocarbons
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Green-hydrogen research: What have we achieved, and where are we going? Bibliometrics analysis
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Methanol dehydrogenation reaction at Au@Pt catalysts: Insight into the methanol electrooxidation
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Perspective on the strategies and challenges in hydrogen production from food and food processing wastes
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Transition metal carbides (WC, Mo2C, TaC, NbC) as potential electrocatalysts for the hydrogen evolution reaction (HER) at medium temperatures
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Improved lithium-ion batteries and their communication with hydrogen power
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Futuristic applications of hydrogen in energy, biorefining, aerospace, pharmaceuticals and metallurgy
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A review on solar-hydrogen/fuel cell hybrid energy systems for stationary applications
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Exploring the activity of a novel Au/TiC(001) model catalyst towards CO and CO2 hydrogenation
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On the hydrogen adsorption and dissociation on Cu surfaces and nanorows
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Theoretical analysis of the adsorption of ammonia–borane and their dehydrogenation products on the (001) surface of TiC and ZrC
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Metal–dihydrogen and σ-bond coordination: the consummate extension of the Dewar–Chatt–Duncanson model for metal–olefin π bonding
inferredcites →https://doi.org/10.1016/s1381-1169(96)00470-0openalex-extracted
Dissociative adsorption of H2 on the Pd(111) surface
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Metal Catalysts for Heterogeneous Catalysis: From Single Atoms to Nanoclusters and Nanoparticles
inferredcites →https://doi.org/10.1021/acs.jpcc.1c03219openalex-extracted
Assessing the Activity of Ni Clusters Supported on TiC(001) toward CO2 and H2 Dissociation
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Catalytic Reduction of Carbon Dioxide on the (001), (011), and (111) Surfaces of TiC and ZrC: A Computational Study
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Supported Molybdenum Carbide Nanoparticles as Hot Hydrogen Reservoirs for Catalytic Applications
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Controlling Hydrogen Activation, Spillover, and Desorption with Pd–Au Single-Atom Alloys
inferredcites →https://doi.org/10.1021/acscatal.0c03286openalex-extracted
Size Dependence of Pt Catalysts for Propane Dehydrogenation: from Atomically Dispersed to Nanoparticles
inferredcites →https://doi.org/10.1021/acscatal.7b01348openalex-extracted
Cobalt Carbide Identified as Catalytic Site for the Dehydrogenation of Ethanol to Acetaldehyde
inferredcites →https://doi.org/10.1021/acscatal.7b01905openalex-extracted
Molybdenum Carbide Modified Nanocarbon Catalysts for Alkane Dehydrogenation Reactions
inferredcites →https://doi.org/10.1021/acsnano.0c09744openalex-extracted
Bimetallic Nanoparticles Associating Noble Metals and First-Row Transition Metals in Catalysis
inferredcites →https://doi.org/10.1021/ar010104uopenalex-extracted
Quantum Theory of Dissociative Chemisorption on Metal Surfaces
inferredcites →https://doi.org/10.1021/cr0204606openalex-extracted
Surface Chemistry of Transition Metal Carbides
inferredcites →https://doi.org/10.1021/ja043727mopenalex-extracted
Effect of Subsurface Oxygen on the Reactivity of the Ag(111) Surface
inferredcites →https://doi.org/10.1021/ja110705aopenalex-extracted
High Activity Carbide Supported Catalysts for Water Gas Shift
inferredcites →https://doi.org/10.1021/ja901522aopenalex-extracted
Desulfurization of Thiophene on Au/TiC(001): Au−C Interactions and Charge Polarization
inferredcites →https://doi.org/10.1021/ja910146gopenalex-extracted
Role of Au−C Interactions on the Catalytic Activity of Au Nanoparticles Supported on TiC(001) toward Molecular Oxygen Dissociation
inferredcites →https://doi.org/10.1021/jp0546709openalex-extracted
DFT Studies of Pt/Au Bimetallic Clusters and Their Interactions with the CO Molecule
inferredcites →https://doi.org/10.1021/jp062725gopenalex-extracted
Reaction of Hydrogen with Ag(111): Binding States, Minimum Energy Paths, and Kinetics
inferredcites →https://doi.org/10.1021/jp0754987openalex-extracted
A Systematic Density Functional Study of Molecular Oxygen Adsorption and Dissociation on the (001) Surface of Group IV−VI Transition Metal Carbides
inferredcites →https://doi.org/10.1021/jp2024445openalex-extracted
Reactivity of Transition Metals (Pd, Pt, Cu, Ag, Au) toward Molecular Hydrogen Dissociation: Extended Surfaces versus Particles Supported on TiC(001) or Small Is Not Always Better and Large Is Not Always Bad
inferredcites →https://doi.org/10.1021/jp907043gopenalex-extracted
Effect of the Support on the Electronic Structure of Au Nanoparticles Supported on Transition Metal Carbides: Choice of the Best Substrate for Au Activation
inferredcites →https://doi.org/10.1038/376238a0openalex-extracted
Why gold is the noblest of all the metals
inferredcites →https://doi.org/10.1038/s41578-022-00499-wopenalex-extracted
Hydrogen bonding makes organic solar cells stretchy
inferredcites →https://doi.org/10.1038/srep40103openalex-extracted
AuPt Alloy Nanostructures with Tunable Composition and Enzyme-like Activities for Colorimetric Detection of Bisulfide
inferredcites →https://doi.org/10.1039/a805753bopenalex-extracted
Bimetallic nanoparticles—novel materials for chemical and physical applications
inferredcites →https://doi.org/10.1039/c0cp02882gopenalex-extracted
On the dissociation of molecular hydrogen by Au supported on transition metal carbides: choice of the most active support
inferredcites →https://doi.org/10.1039/c1cp22738fopenalex-extracted
Activation of noble metals on metal-carbide surfaces: novel catalysts for CO oxidation, desulfurization and hydrogenation reactions
inferredcites →https://doi.org/10.1039/c8cp05975fopenalex-extracted
Hydrogen adsorption on transition metal carbides: a DFT study
inferredcites →https://doi.org/10.1039/c9cc06084gopenalex-extracted
Assessing the usefulness of transition metal carbides for hydrogenation reactions
inferredcites →https://doi.org/10.1039/d0se01761bopenalex-extracted
Demonstration of green hydrogen production using solar energy at 28% efficiency and evaluation of its economic viability
inferredcites →https://doi.org/10.1039/d3cp01659eopenalex-extracted
Recent progress in catalytic dehydrogenation of propane over Pt-based catalysts
inferredcites →https://doi.org/10.1063/1.1323224openalex-extracted
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
inferredcites →https://doi.org/10.1063/1.1329672openalex-extracted
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
inferredcites →https://doi.org/10.1063/1.1888370openalex-extracted
A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides
inferredcites →https://doi.org/10.1063/1.473953openalex-extracted
Dynamics of hydrogen dissociation on Pt{100}: Steering, screening and thermal roughening effects
inferredcites →https://doi.org/10.1063/1.480473openalex-extracted
Atomic and molecular hydrogen interacting with Pt(111)
inferredcites →https://doi.org/10.1063/1.4935265openalex-extracted
Interactions of small platinum clusters with the TiC(001) surface
inferredcites →https://doi.org/10.1103/physrevb.13.5188openalex-extracted
Special points for Brillouin-zone integrations
inferredcites →https://doi.org/10.1103/physrevb.47.558openalex-extracted
Ab initio molecular dynamics for liquid metals
inferredcites →https://doi.org/10.1103/physrevb.49.14251openalex-extracted
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
inferredcites →https://doi.org/10.1103/physrevb.50.17953openalex-extracted
Projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevb.53.4926openalex-extracted
Potential-energy surface for H2 dissociation over Pd(100)
inferredcites →https://doi.org/10.1103/physrevb.54.11169openalex-extracted
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
inferredcites →https://doi.org/10.1103/physrevb.59.1758openalex-extracted
From ultrasoft pseudopotentials to the projector augmented-wave method
inferredcites →https://doi.org/10.1103/physrevlett.73.1404openalex-extracted
Surface Corrugation in the Dissociative Adsorption of H2 on Cu(100)
inferredcites →https://doi.org/10.1103/physrevlett.73.3121openalex-extracted
High-Dimensional Quantum Dynamics of Adsorption and Desorption of H2 at Cu(111)
inferredcites →https://doi.org/10.1103/physrevlett.77.3865openalex-extracted
Generalized Gradient Approximation Made Simple
inferredcites →https://doi.org/10.1126/science.181.4099.547openalex-extracted
Platinum-Like Behavior of Tungsten Carbide in Surface Catalysis
inferredcites →https://doi.org/10.1134/s2070050416010141openalex-extracted
Prospects for using Mo- and W-containing catalysts in hydroisomerization. a patent review. Part 1: Catalysts based on molybdenum and tungsten phosphides
inferredcites →https://doi.org/10.26434/chemrxiv-2022-0q8rjopenalex-extracted
inferredcites →https://doi.org/10.3389/fchem.2022.1019493openalex-extracted
Hydrogen reduction of spent lithium-ion battery cathode material for metal recovery: Mechanism and kinetics
inferredcites →https://doi.org/10.3390/catal12030324openalex-extracted
Formic Acid Dehydrogenation Using Noble-Metal Nanoheterogeneous Catalysts: Towards Sustainable Hydrogen-Based Energy
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