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OSTI DB

Title Year
Toward Benchmarking in Catalysis Science: Best Practices, Challenges, and Opportunities 2016
Activating and Optimizing MoS2 Basal Planes for Hydrogen Evolution through the Formation of Strained Sulfur Vacancies 2016
Intrinsic Selectivity and Structure Sensitivity of Rhodium Catalysts for C2+ Oxygenate Production 2016
Tuning Composition and Activity of Cobalt Titanium Oxide Catalysts for the Oxygen Evolution Reaction 2016
Band edge engineering of oxide photoanodes for photoelectrochemical water splitting: Integration of subsurface dipoles with atomic-scale control 2016
Improving the Photoelectrochemical Performance of Hematite by Employing a High Surface Area Scaffold and Engineering Solid-Solid Interfaces 2016
Elucidating the electronic structure of supported gold nanoparticles and its relevance to catalysis by means of hard X-ray photoelectron spectroscopy 2016
Engineering cobalt phosphide (CoP) thin film catalysts for enhanced hydrogen evolution activity on silicon photocathodes 2015
Benchmarking nanoparticulate metal oxide electrocatalysts for the alkaline water oxidation reaction 2015
Electrooxidation of Alcohols with Electrode-Supported Transfer Hydrogenation Catalysts 2015
Mechanistic insights into nitrogen fixation by nitrogenase enzymes 2015
Degree of rate control approach to computational catalyst screening 2015
Interfacial Challenges in Solid-State Li Ion Batteries 2015
Effect of Boron Modifications of Palladium Catalysts for the Production of Hydrogen from Formic Acid 2015
Al-Air Batteries: Fundamental Thermodynamic Limitations from First-Principles Theory 2015
Optical laser-induced CO desorption from Ru(0001) monitored with a free-electron X-ray laser: DFT prediction and X-ray confirmation of a precursor state 2015
Using microkinetic analysis to search for novel anhydrous formaldehyde production catalysts 2015
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals 2015
Enhancement Effect of Noble Metals on Manganese Oxide for the Oxygen Evolution Reaction 2015
Improved description of metal oxide stability: Beyond the random phase approximation with renormalized kernels 2015
Polymer Electrolyte Membrane Electrolyzers Utilizing Non-precious Mo-based Hydrogen Evolution Catalysts 2015
Synthesis of thin film AuPd alloys and their investigation for electrocatalytic CO2 reduction 2015
Surface Tension Effects on the Reactivity of Metal Nanoparticles 2015
Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends 2015
Mapping Photoelectrochemical Current Distribution at Nanoscale Dimensions on Morphologically Controlled BiVO4 2015
Predicting Promoter-Induced Bond Activation on Solid Catalysts Using Elementary Bond Orders 2015
Theoretical Insights into the Hydrogen Evolution Activity of Layered Transition Metal Dichalcogenides 2015
CoTiOx Catalysts for the Oxygen Evolution Reaction 2015
Theoretical Limits to the Anode Potential in Aqueous Mg-Air Batteries 2015
Theoretical Study of EMIM+ Adsorption on Silver Electrode Surfaces 2015
Hydrogenation of CO2 to methanol and CO on Cu/ZnO/Al2O3: Is there a common intermediate or not? 2015
Screened Hybrid Exact Exchange Correction Scheme for Adsorption Energies on Perovskite Oxides 2015
Engineering high-performance Pd core–MgO porous shell nanocatalysts via heterogeneous gas-phase synthesis 2015
Electrochemical Barriers Made Simple 2015
Enhancing Catalytic CO oxidation over Co3O4 Nanowires by Substituting Co2+ with Cu2+ 2015
Low Barrier Carbon Induced CO Dissociation on Stepped Cu 2015
The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations 2015
From the Sabatier Principle to a Predictive Theory of Transition Metal Heterogeneous Catalysis 2015
Toward Controlled Growth of Helicity-Specific Carbon Nanotubes 2015
Mechanistic Pathway in the Electrochemical Reduction of CO2 on RuO2 2015
Ultrahigh Surface Area Three-Dimensional Porous Graphitic Carbon from Conjugated Polymeric Molecular Framework 2015
Platinum and hybrid polyaniline platinum surfaces for the electrocatalytic reduction of CO2 2015
New Design Paradigm for Heterogeneous Catalysts 2015
Ketene as a Reaction Intermediate in the Carbonylation of Dimethyl Ether to Methyl Acetate over Mordenite 2015
Theoretical Insights into a CO Dimerization Mechanism in CO2 Electroreduction 2015
Applications of ALD MnO to electrochemical water splitting 2015
Examining the Linearity of Transition State Scaling Relations 2015
A systematic study of metal-supported boron nitride materials for the oxygen reduction reaction 2015
Strong Influence of Coadsorbate Interaction on CO Desorption Dynamics Probed by Ultrafast X-ray Spectroscopy and Ab Initio Simulations 2015
Two-Dimensional Metal Dichalcogenides and Oxides for Hydrogen Evolution: A Computational Screening Approach 2015