High-Throughput Screening of Alloy Catalysts for Dry Methane Reforming

Dry Reforming of Methane over the Cobalt Catalyst: Theoretical Insights into the Reaction Kinetics and Mechanism for Catalyst Deactivation

(2020) Shuyue Chen et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Catalytic Dry Reforming of Methane: Insights from Model Systems

(2020) Knut Wittich et al.   ChemCatChem

Insight into Size- and Metal-Dependent Activity and the Mechanism for Steam Methane Re-forming in Nanocatalysis

(2020) Yalan Wang et al.   Journal of Physical Chemistry C

Descriptor Design in the Computational Screening of Ni-Based Catalysts with Balanced Activity and Stability for Dry Reforming of Methane Reaction

(2020) Shuyue Chen et al.   ACS Catalysis

Dry reforming of methane catalysed by molten metal alloys

(2020) Clarke Palmer et al.   Nature Catalysis

Predicting the Activity and Selectivity of Bimetallic Metal Catalysts for Ethanol Reforming using Machine Learning

(2020) Nongnuch Artrith et al.   ACS Catalysis

Contemporary trends in composite Ni-based catalysts for CO2 reforming of methane

(2020) Mohammad Yusuf et al.   CHEMICAL ENGINEERING SCIENCE

Lattice strained Ni-Co alloy as high-performance catalyst for catalytic dry-reforming of methane

(2019) Zhaoxuan Wu et al.   ACS Catalysis

Advances in catalytic conversion of methane and carbon dioxide to highly valuable products

(2019) Xiaojiao Cai et al.   Energy Science & Engineering

Dry reforming of methane over Ni supported on doped CeO2: New insight on the role of dopants for CO2 activation

(2019) Igor Luisetto et al.   Journal of CO2 Utilization

Predicting Chemical Reaction Barriers with a Machine Learning Model

(2019) Aayush R. Singh et al.   CATALYSIS LETTERS

Understanding effects of Ni particle size on steam methane reforming activity by combined experimental and theoretical analysis

(2019) Yalan Wang et al.   CATALYSIS TODAY

Size-Dependent Segregation Preference in Single-Atom Alloys of Late Transition Metals: Effects of Magnetism, Electron Correlation, and Geometrical Strain

(2019) Qiang Yin et al.   Journal of Physical Chemistry C

Dry reforming of methane on Ni-Fe-MgO catalysts: Influence of Fe on carbon-resistant property and kinetics

(2019) Tingting Zhang et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Chemical CO 2 recycling via dry and bi reforming of methane using Ni-Sn/Al 2 O 3 and Ni-Sn/CeO 2 -Al 2 O 3 catalysts

(2018) T. Stroud et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Carbon dioxide reforming of methane over Ni–In/SiO 2 catalyst without coke formation

(2018) Johanna Károlyi et al.   JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY

A Linear Scaling Relation for CO Oxidation on CeO2-Supported Pd

(2018) Jin-Xun Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecular Modelling for Reactor Design

(2018) Frerich J. Keil   Annual Review of Chemical and Biomolecular Engineering

Improved selectivity and coke resistance of core-shell alloy catalysts for propane dehydrogenation from first principles and microkinetic analysis

(2018) Ling Xiao et al.   CHEMICAL ENGINEERING JOURNAL

Study of the performance and stability in the dry reforming of methane of doped alumina supported iridium catalysts

(2018) Silvia C.P. Maina et al.   CATALYSIS TODAY

Understanding trends in hydrodeoxygenation reactivity of metal and bimetallic alloy catalysts from ethanol reaction on stepped surface

(2017) Fatima Jalid et al.   JOURNAL OF CATALYSIS

Recent advances in dry reforming of methane over Ni-based catalysts

(2017) Bawadi Abdullah et al.   JOURNAL OF CLEANER PRODUCTION

Predicting Selectivity for Ethane Dehydrogenation and Coke Formation Pathways over Model Pt–M Surface Alloys with ab Initio and Scaling Methods

(2017) Alec Hook et al.   Journal of Physical Chemistry C

Mechanistic insights into heterogeneous methane activation

(2017) Allegra A. Latimer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Hydrogen production from reforming of biogas: Review of technological advances and an Indian perspective

(2017) Gaurav Nahar et al.   RENEWABLE & SUSTAINABLE ENERGY REVIEWS

Using data mining technology in screening potential additives to Ni/Al2O3 catalysts for methanation

(2017) Xiaoxia Han et al.   Catalysis Science & Technology

High-throughput screening of bimetallic catalysts enabled by machine learning

(2017) Zheng Li et al.   Journal of Materials Chemistry A

Strategy to improve catalytic trend predictions for methane oxidation and reforming

(2016) Byeongjin Baek et al.   AICHE JOURNAL

Intrinsic Selectivity and Structure Sensitivity of Rhodium Catalysts for C2+ Oxygenate Production

(2016) Nuoya Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Super-dry reforming of methane intensifies CO2 utilization via Le Chateliers principle

(2016) L. C. Buelens et al.   SCIENCE

Correlation of Methane Activation and Oxide Catalyst Reducibility and Its Implications for Oxidative Coupling

(2016) Gaurav Kumar et al.   ACS Catalysis

Theoretical Insights into the Selective Oxidation of Methane to Methanol in Copper-Exchanged Mordenite

(2016) Zhi-Jian Zhao et al.   ACS Catalysis

Industrial scale experience on steam reforming of CO 2 -rich gas

(2015) Peter Mølgaard Mortensen et al.   APPLIED CATALYSIS A-GENERAL

CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends

(2015) Andrew J. Medford et al.   CATALYSIS LETTERS

Kinetic and mechanistic aspects for CO 2 reforming of methane over Ni based catalysts

(2015) Yasotha Kathiraser et al.   CHEMICAL ENGINEERING JOURNAL

Density Functional Theory-Assisted Microkinetic Analysis of Methane Dry Reforming on Ni Catalyst

(2015) Chen Fan et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening

(2015) Xianfeng Ma et al.   Journal of Physical Chemistry Letters

A review of dry (CO2) reforming of methane over noble metal catalysts

(2014) Devendra Pakhare et al.   CHEMICAL SOCIETY REVIEWS

Methanol-to-hydrocarbons conversion: The alkene methylation pathway

(2014) Rasmus Y. Brogaard et al.   JOURNAL OF CATALYSIS

Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol

(2014) Felix Studt et al.   Nature Chemistry

Scaling relations between adsorption energies for computational screening and design of catalysts

(2014) Matthew M. Montemore et al.   Catalysis Science & Technology

Catalysis for the Valorization of Exhaust Carbon: from CO2 to Chemicals, Materials, and Fuels. Technological Use of CO2

(2013) Michele Aresta et al.   CHEMICAL REVIEWS

Complexities in modeling of heterogeneous catalytic reactions

(2013) Frerich J. Keil   COMPUTERS & MATHEMATICS WITH APPLICATIONS

On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces

(2013) Adam C. Lausche et al.   JOURNAL OF CATALYSIS

In silicosearch for novel methane steam reforming catalysts

(2013) Yue Xu et al.   NEW JOURNAL OF PHYSICS

CO hydrogenation to methanol on Cu–Ni catalysts: Theory and experiment

(2012) Felix Studt et al.   JOURNAL OF CATALYSIS

Particle size effect in the low temperature reforming of methane by carbon dioxide on silica-supported Ni nanoparticles

(2012) David Baudouin et al.   JOURNAL OF CATALYSIS

Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

(2012) Jess Wellendorff et al.   PHYSICAL REVIEW B

Methane reforming to synthesis gas over Ni catalysts modified with noble metals

(2011) Dalin Li et al.   APPLIED CATALYSIS A-GENERAL

The promoting effect of La, Mg, Co and Zn on the activity and stability of Ni/SiO2 catalyst for CO2 reforming of methane

(2011) Jianqiang Zhu et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

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

DFT studies of dry reforming of methane on Ni catalyst

(2009) Yi-An Zhu et al.   CATALYSIS TODAY

Towards the computational design of solid catalysts

(2009) J. K. Nørskov et al.   Nature Chemistry

Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

(2008) Eva M. Fernández et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The nature of the active site in heterogeneous metal catalysis

(2008) Jens K. Nørskov et al.   CHEMICAL SOCIETY REVIEWS

First principles calculations and experimental insight into methane steam reforming over transition metal catalysts

(2008) G JONES et al.   JOURNAL OF CATALYSIS

Using scaling relations to understand trends in the catalytic activity of transition metals

(2008) G Jones et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Identification of Non-Precious Metal Alloy Catalysts for Selective Hydrogenation of Acetylene

(2008) F. Studt et al.   SCIENCE