Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Computational Study of Transition-Metal Substitutions in Rutile TiO2 (110) for Photoelectrocatalytic Ammonia Synthesis

Journal Article · · Catalysis Letters

Not provided.

Research Organization:
Georgia Institute of Technology, Atlanta, GA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0019410
OSTI ID:
1853233
Journal Information:
Catalysis Letters, Journal Name: Catalysis Letters Journal Issue: 4 Vol. 151; ISSN 1011-372X
Publisher:
Springer
Country of Publication:
United States
Language:
English

References (79)

The effects of the nature of TiO 2 supports on the catalytic performance of Rh–Mn/TiO 2 catalysts in the synthesis of C 2 oxygenates from syngas journal January 2019
Nitrogen Fixation by Ru Single-Atom Electrocatalytic Reduction journal January 2019
Special points for Brillouin-zone integrations journal June 1976
Molybdenum Trafficking for Nitrogen Fixation journal September 2009
Analysis of Photocatalytic Nitrogen Fixation on Rutile TiO 2 (110) journal February 2018
Cohesive energy, properties, and formation energy of transition metal alloys journal January 2008
Chemical looping of metal nitride catalysts: low-pressure ammonia synthesis for energy storage journal January 2015
Doping TiO2 with p-block elements: Effects on photocatalytic activity journal March 2013
A Review of Electrocatalytic Reduction of Dinitrogen to Ammonia under Ambient Conditions journal May 2018
Titanium Dioxide as a Catalyst Support in Heterogeneous Catalysis journal January 2014
Conversion of solar energy to chemical energy by photoassisted processes—I. Preliminary results on ammonia production over doped titanium dioxide catalysts in a fluidized bed reactor journal January 1982
Computational Screening of Rutile Oxides for Electrochemical Ammonia Formation journal September 2017
Lonely Atoms with Special Gifts: Breaking Linear Scaling Relationships in Heterogeneous Catalysis with Single-Atom Alloys journal September 2018
Photocatalytic Fixation of Nitrogen to Ammonia by Single Ru Atom Decorated TiO 2 Nanosheets journal February 2019
First-principles study of single transition metal atoms on ZnO for the water gas shift reaction journal January 2017
Photolysis of Water and Photoreduction of Nitrogen on Titanium Dioxide journal October 1977
Electronic Origin of the Surface Reactivity of Transition-Metal-Doped TiO 2 (110) journal December 2012
Supported Single Pt 1 /Au 1 Atoms for Methanol Steam Reforming journal October 2014
Reply: Standards of Demonstration for the Heterogeneous Photoreactions of N2 with H2O journal April 1993
A Standard Solid State Pseudopotentials (SSSP) library optimized for accuracy and efficiency (Version 1.0, data download) dataset January 2018
Photocatalytically induced fixation of molecular nitrogen by near UV radiation journal July 1979
Catalytic Synthesis of Ammonia—A “Never-Ending Story”? journal May 2003
Photocatalytic properties of TiO2 modified with platinum and silver nanoparticles in the degradation of oxalic acid in aqueous solution journal March 2006
Greening Ammonia toward the Solar Ammonia Refinery journal June 2018
Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution journal August 2011
Promoted Fixation of Molecular Nitrogen with Surface Oxygen Vacancies on Plasmon-Enhanced TiO 2 Photoelectrodes journal March 2018
Physical Chemistry of Semiconductor−Liquid Interfaces journal January 1996
The surface science of titanium dioxide journal January 2003
Photocatalytic reduction of nitrite and nitrate ions to ammonia on M/TiO2 catalysts journal July 1997
Interference Effect of Alcohol on Nessler’s Reagent in Photocatalytic Nitrogen Fixation journal March 2018
Catalysis by Supported Single Metal Atoms journal November 2016
Why gold is the noblest of all the metals journal July 1995
Molecular Catalysts for N 2 Reduction: State of the Art, Mechanism, and Challenges journal September 2017
Reproducibility in density functional theory calculations of solids journal March 2016
The Question of Artificial Photosynthesis of Ammonia on Heterogeneous Catalysts book January 1994
Surface electronic structure and reactivity of transition and noble metals1Communication presented at the First Francqui Colloquium, Brussels, 19–20 February 1996.1 journal February 1997
Water-Gas Shift Activity of Atomically Dispersed Cationic Platinum versus Metallic Platinum Clusters on Titania Supports journal December 2016
First-Principles View on Photoelectrochemistry: Water-Splitting as Case Study journal June 2017
An Opinion on the Heterogeneous Photoreactions of N2 with H2O journal April 1992
Combining theory and experiment in electrocatalysis: Insights into materials design journal January 2017
AB Initio Atomistic Thermodynamics and Statistical Mechanics of Surface Properties and Functions book January 2005
Progress in the Electrochemical Synthesis of Ammonia journal May 2017
Efficient visible-light driven N 2 fixation over two-dimensional Sb/TiO 2 composites journal January 2019
Relationships between the surface electronic and chemical properties of doped 4d and 5d late transition metal dioxides journal March 2015
A rigorous electrochemical ammonia synthesis protocol with quantitative isotope measurements journal May 2019
Dinitrogen photoreduction to ammonia over titanium dioxide powders doped with ferric ions journal January 1991
Electrification and Decarbonization of the Chemical Industry journal September 2017
Band theory and Mott insulators: Hubbard U instead of Stoner I journal July 1991
Photocatalytic reduction of dinitrogen to ammonia over noble-metal-loaded TiO2 journal May 1996
The Use of Controls for Consistent and Accurate Measurements of Electrocatalytic Ammonia Synthesis from Dinitrogen journal July 2018
First-Principles Computational Screening of Dopants to Improve the Deacon Process over RuO 2 journal December 2017
Theoretical surface science and catalysis—calculations and concepts book January 2000
Effect of doping TiO2 with alkaline-earth metal ions on its photocatalytic activity journal January 2007
Dipole correction for surface supercell calculations journal May 1999
Addressing the terawatt challenge: scalability in the supply of chemical elements for renewable energy journal January 2012
Photon-Driven Nitrogen Fixation: Current Progress, Thermodynamic Considerations, and Future Outlook journal March 2017
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode journal November 2004
Ti3+ Defect Sites on TiO2(110): Production and Chemical Detection of Active Sites journal November 1994
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation journal June 2012
Understanding TiO 2 Photocatalysis: Mechanisms and Materials journal May 2014
Doped-TiO2: A Review journal November 2008
The preparation of nano-gold catalyst supported on iron doped titanium oxide journal June 2010
Interaction trends between single metal atoms and oxide supports identified with density functional theory and statistical learning journal July 2018
Universal transition state scaling relations for (de)hydrogenation over transition metals journal January 2011
The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations journal June 2015
Understanding and Breaking Scaling Relations in Single-Site Catalysis: Methane to Methanol Conversion by Fe IV ═O journal January 2018
Materials for electrochemical ammonia synthesis journal January 2019
We need to talk about nitrogen journal January 2012
CO methanation toward the production of synthetic natural gas over highly active Ni/TiO 2 catalyst journal November 2013
Detonator of the population explosion journal July 1999
Experimental evidence for mixed dissociative and molecular adsorption of water on a rutile TiO 2 ( 110 ) surface without oxygen vacancies journal December 2009
Photocatalytic Conversion of Nitrogen to Ammonia with Water on Surface Oxygen Vacancies of Titanium Dioxide journal July 2017
Single-atom catalysis of CO oxidation using Pt1/FeOx journal July 2011
Nitrogen photoreduction on desert sands under sterile conditions journal June 1983
Oxygen vacancy enhancing mechanism of nitrogen reduction reaction property in Ru/TiO2 journal December 2019
Recent progress of metal–graphene nanostructures in photocatalysis journal January 2018
The Role of Adventitious Carbon in Photo-catalytic Nitrogen Fixation by Titania journal October 2018
Prospects and Challenges for Solar Fertilizers journal July 2019
Amorphizing of Au Nanoparticles by CeO x -RGO Hybrid Support towards Highly Efficient Electrocatalyst for N 2 Reduction under Ambient Conditions journal July 2017

Similar Records

Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution
Journal Article · Thu Aug 25 00:00:00 EDT 2011 · ChemCatChem · OSTI ID:1255912

Tailoring the Activity for Oxygen Evolution Electrocatalysis on Rutile TiO2(110) by Transition-Metal Substitution
Journal Article · Thu Aug 25 00:00:00 EDT 2011 · ChemCatChem · OSTI ID:1382957

Ammonia formation from NO reaction with surface hydroxyls on rutile TiO2 (110) - 1×1
Journal Article · Wed Jan 14 23:00:00 EST 2015 · Journal of Physical Chemistry C, 119(2):1130-1135 · OSTI ID:1184925

Related Subjects