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Density Functional Theory Comparison of Methanol Decomposition and Reverse Reactions on Metal Surfaces

https://doi.org/10.1021/cs501698w
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Outgoing claims: the papers this work cites, builds on, or argues with.

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inferred← citeshttps://doi.org/10.1038/s41467-021-24254-xopenalex-snapshot
Grain-boundary-rich polycrystalline monolayer WS2 film for attomolar-level Hg2+ sensors
inferred← citeshttps://doi.org/10.1038/s41467-021-25214-1openalex-snapshot
Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
inferred← citeshttps://doi.org/10.1038/s44286-026-00361-8openalex-snapshot
An end-to-end framework for reactivity in heterogeneous catalysis
inferred← citeshttps://doi.org/10.1039/c5ra18226copenalex-snapshot
Theoretical study on the influence of a secondary metal on the Cu(110) surface in the presence of H 2 O for methanol decomposition
inferred← citeshttps://doi.org/10.1039/c5ra20087copenalex-snapshot
Density functional theory study of hydrogenation of S to H 2 S on Pt–Pd alloy surfaces
inferred← citeshttps://doi.org/10.1039/c6cp02735kopenalex-snapshot
Theoretical insights into the promotion effect of subsurface boron for the selective hydrogenation of CO to methanol over Pd catalysts
inferred← citeshttps://doi.org/10.1039/c6fd00224bopenalex-snapshot
Selective hydrogenation of CO on Fe 3 S 4 {111}: a computational study
inferred← citeshttps://doi.org/10.1039/c6ra09395gopenalex-snapshot
Insights into the effect of Pt doping of Cu(110)/H 2 O for methanol decomposition: a density functional theory study
inferred← citeshttps://doi.org/10.1039/c7cy02089aopenalex-snapshot
Unsupported shaped cobalt nanoparticles as efficient and recyclable catalysts for the solvent-free acceptorless dehydrogenation of alcohols
inferred← citeshttps://doi.org/10.1039/c7cy02208eopenalex-snapshot
Direct n -octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates
inferred← citeshttps://doi.org/10.1039/c8cp00609aopenalex-snapshot
The influence of a hydrophobic carrier, reactant and product during H 2 O adsorption on Pd surface for the oxidative esterification of methacrolein to methyl methacrylate
inferred← citeshttps://doi.org/10.1039/c8cp06331aopenalex-snapshot
Can microsolvation effects be estimated from vacuum computations? A case-study of alcohol decomposition at the H 2 O/Pt(111) interface
inferred← citeshttps://doi.org/10.1039/c8gc00451jopenalex-snapshot
Acceptorless dehydrogenative coupling reactions with alcohols over heterogeneous catalysts
inferred← citeshttps://doi.org/10.1039/c9cp03291fopenalex-snapshot
Methanol oxidation on the Pt(321) surface: a theoretical approach on the role of surface morphology and surface coverage effects
inferred← citeshttps://doi.org/10.1039/c9cp07003fopenalex-snapshot
Mechanistic insight into methane dry reforming over cobalt: a density functional theory study
inferred← citeshttps://doi.org/10.1039/c9cy00584fopenalex-snapshot
Enhancing electrostatic interactions to activate polar molecules: ammonia borane methanolysis on a Cu/Co(OH) 2 nanohybrid
inferred← citeshttps://doi.org/10.1039/d0cp06091gopenalex-snapshot
Ab initio investigation of the role of the d-states occupation on the adsorption properties of H 2 , CO, CH 4 and CH 3 OH on the Fe 13 , Co 13 , Ni 13 and Cu 13 clusters
inferred← citeshttps://doi.org/10.1039/d1nj05713hopenalex-snapshot
Theoretical insights into CO 2 reduction reaction on a CuPc/graphene single-atomic catalyst
inferred← citeshttps://doi.org/10.1039/d3ra04222gopenalex-snapshot
Removal of bromophenol blue from polluted water using a novel azo-functionalized magnetic nano-adsorbent
inferred← citeshttps://doi.org/10.1039/d4ta00149dopenalex-snapshot
Theoretical insights into H 2 O adsorption on CuAlO 2 (1120) surfaces: from low to high coverage
inferred← citeshttps://doi.org/10.1039/d5ey00132copenalex-snapshot
Vibrational excitation in plasma catalysis: how important are dynamical effects?
inferred← citeshttps://doi.org/10.1039/d6cc00035eopenalex-snapshot
Advances in methanol oxidation catalysts and system-level engineering for direct methanol fuel cells
inferred← citeshttps://doi.org/10.1063/1.5070129openalex-snapshot
An AIMD study of dissociative chemisorption of methanol on Cu(111) with implications for formaldehyde formation
inferred← citeshttps://doi.org/10.1111/jace.20399openalex-snapshot
Insight the essential role of manganese impurity to the initial hydration of Mn‐doped C 4 AF at the atomic level
inferred← citeshttps://doi.org/10.1111/jace.70636openalex-snapshot
Effect of the 3 d 10 Element Doping on Early Hydration Reaction of C 4 AF
inferred← citeshttps://doi.org/10.17516/1998-2836-0181openalex-snapshot
Spectroscopic Characteristics of the Methanol Decomposition Intermediates on a Platinum Nanocluster
inferred← citeshttps://doi.org/10.3389/fchem.2024.1427451openalex-snapshot
Mn/carbon aerogels derived from the water-induced self-assembly of UIO-66 (Mn) for the thermal decomposition of ammonium perchlorate
inferred← citeshttps://doi.org/10.3390/ijms232415930openalex-snapshot
Facet-Dependent SERS Activity of Co3O4
inferred← citeshttps://doi.org/10.70675/5ad01938z4a0dz4e04zb469zf480577ed466openalex-snapshot
Catalyseurs hétérogènes pour déshydrogénation d'alcool sans accepteur - études expérimentales et théoriques conjointes
inferred← citeshttps://doi.org/10.70675/a387d43az98b6z4f04za75dz4a455a41b8f3openalex-snapshot
Transformation de polyols biosourcés par hydrogénolyse en phase aqueuse
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