Materials for solar fuels and chemicals

Semiconductor–Electrocatalyst Interfaces: Theory, Experiment, and Applications in Photoelectrochemical Water Splitting

(2016) Michael R. Nellist et al.   ACCOUNTS OF CHEMICAL RESEARCH

Direct Water Decomposition on Transition Metal Surfaces: Structural Dependence and Catalytic Screening

(2016) Charlie Tsai et al.   CATALYSIS LETTERS

Opportunities to improve the net energy performance of photoelectrochemical water-splitting technology

(2016) Roger Sathre et al.   Energy & Environmental Science

Covalent Immobilization of a Molecular Catalyst on Cu2O Photocathodes for CO2 Reduction

(2016) Marcel Schreier et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Bifunctional alloys for the electroreduction of CO2 and CO

(2016) H. A. Hansen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Homogeneously dispersed multimetal oxygen-evolving catalysts

(2016) B. Zhang et al.   SCIENCE

Solar water splitting by photovoltaic-electrolysis with a solar-to-hydrogen efficiency over 30%

(2016) Jieyang Jia et al.   Nature Communications

Band Edge Engineering of Oxide Photoanodes for Photoelectrochemical Water Splitting: Integration of Subsurface Dipoles with Atomic-Scale Control

(2016) Yasuyuki Hikita et al.   Advanced Energy Materials

Critical role of interfacial effects on the reactivity of semiconductor-cocatalyst junctions for photocatalytic oxygen evolution from water

(2016) John C. Matsubu et al.   Catalysis Science & Technology

Gold-supported cerium-doped NiOx catalysts for water oxidation

(2016) Jia Wei Desmond Ng et al.   Nature Energy

Semiconducting materials for photoelectrochemical energy conversion

(2016) Kevin Sivula et al.   Nature Reviews Materials

A 24.4% solar to hydrogen energy conversion efficiency by combining concentrator photovoltaic modules and electrochemical cells

(2015) Akihiro Nakamura et al.   Applied Physics Express

Improving Oxygen Electrochemistry through Nanoscopic Confinement

(2015) Andrew D. Doyle et al.   ChemCatChem

Modeling, Simulation, and Fabrication of a Fully Integrated, Acid-stable, Scalable Solar-Driven Water-Splitting System

(2015) Karl Walczak et al.   ChemSusChem

Renewable fuels from concentrated solar power: towards practical artificial photosynthesis

(2015) Shannon A. Bonke et al.   Energy & Environmental Science

Experimental demonstrations of spontaneous, solar-driven photoelectrochemical water splitting

(2015) Joel W. Ager et al.   Energy & Environmental Science

A monolithic device for CO2 photoreduction to generate liquid organic substances in a single-compartment reactor

(2015) Takeo Arai et al.   Energy & Environmental Science

Interface engineering of the photoelectrochemical performance of Ni-oxide-coated n-Si photoanodes by atomic-layer deposition of ultrathin films of cobalt oxide

(2015) Xinghao Zhou et al.   Energy & Environmental Science

A taxonomy for solar fuels generators

(2015) Adam C. Nielander et al.   Energy & Environmental Science

Stabilization of Si microwire arrays for solar-driven H2O oxidation to O2(g) in 1.0 M KOH(aq) using conformal coatings of amorphous TiO2

(2015) Matthew R. Shaner et al.   Energy & Environmental Science

Particle suspension reactors and materials for solar-driven water splitting

(2015) David M. Fabian et al.   Energy & Environmental Science

Designing an improved transition metal phosphide catalyst for hydrogen evolution using experimental and theoretical trends

(2015) Jakob Kibsgaard et al.   Energy & Environmental Science

Crystalline TiO2: A Generic and Effective Electron-Conducting Protection Layer for Photoanodes and -cathodes

(2015) Bastian Mei et al.   Journal of Physical Chemistry C

Electrochemical Barriers Made Simple

(2015) Karen Chan et al.   Journal of Physical Chemistry Letters

Energetics and Solvation Effects at the Photoanode/Catalyst Interface: Ohmic Contact versus Schottky Barrier

(2015) Yuan Ping et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Grain-Boundary-Dependent CO2 Electroreduction Activity

(2015) Xiaofeng Feng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Benchmarking Hydrogen Evolving Reaction and Oxygen Evolving Reaction Electrocatalysts for Solar Water Splitting Devices

(2015) Charles C. L. McCrory et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A metal-free bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions

(2015) Jintao Zhang et al.   Nature Nanotechnology

Surface modification of semiconductor photoelectrodes

(2015) Néstor Guijarro et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical evaluation of the surface electrochemistry of perovskites with promising photon absorption properties for solar water splitting

(2015) Joseph H. Montoya et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Thermodynamic and achievable efficiencies for solar-driven electrochemical reduction of carbon dioxide to transportation fuels

(2015) Meenesh R. Singh et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Efficient photosynthesis of carbon monoxide from CO2 using perovskite photovoltaics

(2015) Marcel Schreier et al.   Nature Communications

Engineering Cobalt Phosphide (CoP) Thin Film Catalysts for Enhanced Hydrogen Evolution Activity on Silicon Photocathodes

(2015) Thomas R. Hellstern et al.   Advanced Energy Materials

Mn2V2O7: An Earth Abundant Light Absorber for Solar Water Splitting

(2015) Qimin Yan et al.   Advanced Energy Materials

New design paradigm for heterogeneous catalysts

(2015) Aleksandra Vojvodic et al.   National Science Review

Molybdenum Phosphosulfide: An Active, Acid-Stable, Earth-Abundant Catalyst for the Hydrogen Evolution Reaction

(2014) Jakob Kibsgaard et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Molybdenum Sulfides and Selenides as Possible Electrocatalysts for CO2Reduction

(2014) Karen Chan et al.   ChemCatChem

Recent advances in semiconductors for photocatalytic and photoelectrochemical water splitting

(2014) Takashi Hisatomi et al.   CHEMICAL SOCIETY REVIEWS

Photoelectrochemical Water Splitting at Semiconductor Electrodes: Fundamental Problems and New Perspectives

(2014) Laurence M. Peter et al.   CHEMPHYSCHEM

Modeling Practical Performance Limits of Photoelectrochemical Water Splitting Based on the Current State of Materials Research

(2014) Linsey C. Seitz et al.   ChemSusChem

Life-cycle net energy assessment of large-scale hydrogen production via photoelectrochemical water splitting

(2014) Roger Sathre et al.   Energy & Environmental Science

Molybdenum phosphide as an efficient electrocatalyst for the hydrogen evolution reaction

(2014) Peng Xiao et al.   Energy & Environmental Science

Sunlight absorption in water – efficiency and design implications for photoelectrochemical devices

(2014) H. Döscher et al.   Energy & Environmental Science

Departures from the Adsorption Energy Scaling Relations for Metal Carbide Catalysts

(2014) Ronald Michalsky et al.   Journal of Physical Chemistry C

Iron-Treated NiO as a Highly Transparent p-Type Protection Layer for Efficient Si-Based Photoanodes

(2014) Bastian Mei et al.   Journal of Physical Chemistry Letters

Orientation-Dependent Oxygen Evolution Activities of Rutile IrO2 and RuO2

(2014) Kelsey A. Stoerzinger et al.   Journal of Physical Chemistry Letters

Electrocatalytic Conversion of Carbon Dioxide to Methane and Methanol on Transition Metal Surfaces

(2014) Kendra P. Kuhl et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nickel–Iron Oxyhydroxide Oxygen-Evolution Electrocatalysts: The Role of Intentional and Incidental Iron Incorporation

(2014) Lena Trotochaud et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Switching the Reaction Course of Electrochemical CO2 Reduction with Ionic Liquids

(2014) Liyuan Sun et al.   LANGMUIR

Nanoscale Limitations in Metal Oxide Electrocatalysts for Oxygen Evolution

(2014) Venkatasubramanian Viswanathan et al.   NANO LETTERS

Molybdenum Sulfide/N-Doped CNT Forest Hybrid Catalysts for High-Performance Hydrogen Evolution Reaction

(2014) Dong Jun Li et al.   NANO LETTERS

Electroreduction of carbon monoxide to liquid fuel on oxide-derived nanocrystalline copper

(2014) Christina W. Li et al.   NATURE

Building an appropriate active-site motif into a hydrogen-evolution catalyst with thiomolybdate [Mo3S13]2− clusters

(2014) Jakob Kibsgaard et al.   Nature Chemistry

Beyond the volcano limitations in electrocatalysis – oxygen evolution reaction

(2014) Niels Bendtsen Halck et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Water photolysis at 12.3% efficiency via perovskite photovoltaics and Earth-abundant catalysts

(2014) J. Luo et al.   SCIENCE

Nanoporous BiVO4 Photoanodes with Dual-Layer Oxygen Evolution Catalysts for Solar Water Splitting

(2014) T. W. Kim et al.   SCIENCE

Catalyzing the Hydrogen Evolution Reaction (HER) with Molybdenum Sulfide Nanomaterials

(2014) Jesse D. Benck et al.   ACS Catalysis

Designing Active and Stable Silicon Photocathodes for Solar Hydrogen Production Using Molybdenum Sulfide Nanomaterials

(2014) Jesse D. Benck et al.   Advanced Energy Materials

New Light-Harvesting Materials Using Accurate and Efficient Bandgap Calculations

(2014) Ivano E. Castelli et al.   Advanced Energy Materials

Bandgap calculations and trends of organometal halide perovskites

(2014) Ivano E. Castelli et al.   APL Materials

Selectivity of CO2Reduction on Copper Electrodes: The Role of the Kinetics of Elementary Steps

(2013) Xiaowa Nie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Frontiers, Opportunities, and Challenges in Biochemical and Chemical Catalysis of CO2 Fixation

(2013) Aaron M. Appel et al.   CHEMICAL REVIEWS

Simulations of the irradiation and temperature dependence of the efficiency of tandem photoelectrochemical water-splitting systems

(2013) Sophia Haussener et al.   Energy & Environmental Science

An analysis of the optimal band gaps of light absorbers in integrated tandem photoelectrochemical water-splitting systems

(2013) Shu Hu et al.   Energy & Environmental Science

Technical and economic feasibility of centralized facilities for solar hydrogen production via photocatalysis and photoelectrochemistry

(2013) Blaise A. Pinaud et al.   Energy & Environmental Science

Characteristics of hydrogen generation from water splitting by polymer electrolyte electrochemical cell directly connected with concentrated photovoltaic cell

(2013) Katsushi Fujii et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Electrochemical CO2 and CO Reduction on Metal-Functionalized Porphyrin-like Graphene

(2013) Vladimir Tripkovic et al.   Journal of Physical Chemistry C

Metal Oxide Photoelectrodes for Solar Fuel Production, Surface Traps, and Catalysis

(2013) Kevin Sivula   Journal of Physical Chemistry Letters

An Investigation of Thin-Film Ni–Fe Oxide Catalysts for the Electrochemical Evolution of Oxygen

(2013) Mary W. Louie et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Benchmarking Heterogeneous Electrocatalysts for the Oxygen Evolution Reaction

(2013) Charles C. L. McCrory et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of MoS2 and MoSe2 Films with Vertically Aligned Layers

(2013) Desheng Kong et al.   NANO LETTERS

Adaptive semiconductor/electrocatalyst junctions in water-splitting photoanodes

(2013) Fuding Lin et al.   NATURE MATERIALS

Screening of transition and post-transition metals to incorporate into copper oxide and copper bismuth oxide for photoelectrochemical hydrogen evolution

(2013) Sean P. Berglund et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling CO2 reduction on Pt(111)

(2013) Chuan Shi et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Commentary: The Materials Project: A materials genome approach to accelerating materials innovation

(2013) Anubhav Jain et al.   APL Materials

Hydrogen Production Using a Molybdenum Sulfide Catalyst on a Titanium-Protected n+p-Silicon Photocathode

(2012) Brian Seger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Computational Materials Repository

(2012) David D. Landis et al.   COMPUTING IN SCIENCE & ENGINEERING

Splitting water with rust: hematite photoelectrochemistry

(2012) Thomas W. Hamann   DALTON TRANSACTIONS

Modeling, simulation, and design criteria for photoelectrochemical water-splitting systems

(2012) Sophia Haussener et al.   Energy & Environmental Science

New insights into the electrochemical reduction of carbon dioxide on metallic copper surfaces

(2012) Kendra P. Kuhl et al.   Energy & Environmental Science

New cubic perovskites for one- and two-photon water splitting using the computational materials repository

(2012) Ivano E. Castelli et al.   Energy & Environmental Science

First principles high throughput screening of oxynitrides for water-splitting photocatalysts

(2012) Yabi Wu et al.   Energy & Environmental Science

Direct Observation of Two Electron Holes in a Hematite Photoanode during Photoelectrochemical Water Splitting

(2012) Artur Braun et al.   Journal of Physical Chemistry C

Synthesis and Activities of Rutile IrO2 and RuO2 Nanoparticles for Oxygen Evolution in Acid and Alkaline Solutions

(2012) Youngmin Lee et al.   Journal of Physical Chemistry Letters

Activity Descriptors for CO2 Electroreduction to Methane on Transition-Metal Catalysts

(2012) Andrew A. Peterson et al.   Journal of Physical Chemistry Letters

Solution-Cast Metal Oxide Thin Film Electrocatalysts for Oxygen Evolution

(2012) Lena Trotochaud et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Efficient and Stable Photo-Oxidation of Water by a Bismuth Vanadate Photoanode Coupled with an Iron Oxyhydroxide Oxygen Evolution Catalyst

(2012) Jason A. Seabold et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Water Oxidation at Hematite Photoelectrodes: The Role of Surface States

(2012) Benjamin Klahr et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photoelectrochemical and Impedance Spectroscopic Investigation of Water Oxidation with “Co–Pi”-Coated Hematite Electrodes

(2012) Benjamin Klahr et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synergetic Effect of MoS2 and Graphene as Cocatalysts for Enhanced Photocatalytic H2 Production Activity of TiO2 Nanoparticles

(2012) Quanjun Xiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aqueous CO2 Reduction at Very Low Overpotential on Oxide-Derived Au Nanoparticles

(2012) Yihong Chen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Effect of Cations on the Electrochemical Conversion of CO2to CO

(2012) Michael R. Thorson et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Catalyst or spectator?

(2012) Daniel R. Gamelin   Nature Chemistry

Engineering the surface structure of MoS2 to preferentially expose active edge sites for electrocatalysis

(2012) Jakob Kibsgaard et al.   NATURE MATERIALS

Dynamics of photogenerated holes in surface modified  -Fe2O3 photoanodes for solar water splitting

(2012) M. Barroso et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Amorphous Molybdenum Sulfide Catalysts for Electrochemical Hydrogen Production: Insights into the Origin of their Catalytic Activity

(2012) Jesse D. Benck et al.   ACS Catalysis

Universality in Oxygen Evolution Electrocatalysis on Oxide Surfaces

(2011) Isabela C. Man et al.   ChemCatChem

Evaluation of Pt, Ni, and Ni–Mo electrocatalysts for hydrogen evolution on crystalline Si electrodes

(2011) James R. McKone et al.   Energy & Environmental Science

Cathodic shift in onset potential of solar oxygen evolution on hematite by 13-group oxide overlayers

(2011) Takashi Hisatomi et al.   Energy & Environmental Science

Computational screening of perovskite metal oxides for optimal solar light capture

(2011) Ivano E. Castelli et al.   Energy & Environmental Science

MoS2Nanoparticles Grown on Graphene: An Advanced Catalyst for the Hydrogen Evolution Reaction

(2011) Yanguang Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Core–shell MoO3–MoS2Nanowires for Hydrogen Evolution: A Functional Design for Electrocatalytic Materials

(2011) Zhebo Chen et al.   NANO LETTERS

Atomic layer-deposited tunnel oxide stabilizes silicon photoanodes for water oxidation

(2011) Yi Wei Chen et al.   NATURE MATERIALS

Density functional theory in surface chemistry and catalysis

(2011) J. K. Norskov et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ionic Liquid-Mediated Selective Conversion of CO2 to CO at Low Overpotentials

(2011) B. A. Rosen et al.   SCIENCE

A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

(2011) J. Suntivich et al.   SCIENCE

Solar Water Splitting Cells

(2010) Michael G. Walter et al.   CHEMICAL REVIEWS

How copper catalyzes the electroreduction of carbon dioxide into hydrocarbon fuels

(2010) Andrew A. Peterson et al.   Energy & Environmental Science

Hydrogen Oxidation and Evolution Reaction Kinetics on Platinum: Acid vs Alkaline Electrolytes

(2010) Wenchao Sheng et al.   JOURNAL OF THE ELECTROCHEMICAL SOCIETY

Kohn-Sham potential with discontinuity for band gap materials

(2010) M. Kuisma et al.   PHYSICAL REVIEW B

Efficient Band Gap Prediction for Solids

(2010) M. K. Y. Chan et al.   PHYSICAL REVIEW LETTERS

Improved photoelectrochemical performance of Ti-doped α-Fe2O3 thin films by surface modification with fluoride

(2009) Yong-Sheng Hu et al.   CHEMICAL COMMUNICATIONS

Cyclopentadienyl Ruthenium–Nickel Catalysts for Biomimetic Hydrogen Evolution: Electrocatalytic Properties and Mechanistic DFT Studies

(2009) Sigolène Canaguier et al.   CHEMISTRY-A EUROPEAN JOURNAL

Accelerating materials development for photoelectrochemical hydrogen production: Standards for methods, definitions, and reporting protocols

(2009) Zhebo Chen et al.   JOURNAL OF MATERIALS RESEARCH

Modeling the electrified solid–liquid interface

(2008) Jan Rossmeisl et al.   CHEMICAL PHYSICS LETTERS

Hydrogen evolution on nano-particulate transition metal sulfides

(2008) Jacob Bonde et al.   FARADAY DISCUSSIONS

Electrodeposition of Ni–Mo alloy coatings and their characterization as cathodes for hydrogen evolution in sodium hydroxide solution

(2008) N KRSTAJIC et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Hydrogen Evolution on Supported Incomplete Cubane-type [Mo3S4]4+ Electrocatalysts

(2008) Thomas F. Jaramillo et al.   Journal of Physical Chemistry C