Hydrodeoxygenation of guaiacol over bimetallic Fe-alloyed (Ni, Pt) surfaces: reaction mechanism, transition-state scaling relations and descriptor for predicting C–O bond scission reactivity

Highly effective hydrodeoxygenation of guaiacol on Pt/TiO 2 : Promoter effects

(2018) Zhong He et al.   CATALYSIS TODAY

Hydrodeoxygenation of m-cresol over bimetallic NiFe alloys: Kinetics and thermodynamics insight into reaction mechanism

(2018) Xiaoyang Liu et al.   JOURNAL OF CATALYSIS

Lattice mismatch as the descriptor of segregation, stability and reactivity of supported thin catalyst films

(2018) Edvin Fako et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Mechanistic analysis of the role of metal oxophilicity in the hydrodeoxygenation of anisole

(2017) Qiaohua Tan et al.   JOURNAL OF CATALYSIS

The Degree of Rate Control: A Powerful Tool for Catalysis Research

(2017) Charles T. Campbell   ACS Catalysis

Hydrodeoxygenation of Phenol over Pd Catalysts. Effect of Support on Reaction Mechanism and Catalyst Deactivation

(2017) Priscilla M. de Souza et al.   ACS Catalysis

Trends in the Surface and Catalytic Chemistry of Transition-Metal Ceramics in the Deoxygenation of a Woody Biomass Pyrolysis Model Compound

(2017) Yang He et al.   ACS Catalysis

Promoting the oxygen reduction reaction with gold at step/edge sites of Ni@AuPt core–shell nanoparticles

(2017) Hao Wang et al.   Catalysis Science & Technology

Highly selective hydrodeoxygenation of anisole, phenol and guaiacol to benzene over nickel phosphide

(2017) Yunhua Li et al.   RSC Advances

Vapor-phase hydrodeoxygenation of guaiacol on Al-MCM-41 supported Ni and Co catalysts

(2016) Nga T.T. Tran et al.   APPLIED CATALYSIS A-GENERAL

LOBSTER: A tool to extract chemical bonding from plane-wave based DFT

(2016) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Adsorption of guaiacol on Fe (110) and Pd (111) from first principles

(2016) Alyssa J.R. Hensley et al.   SURFACE SCIENCE

Mechanism of Dehydration of Phenols on Noble Metals via First-Principles Microkinetic Modeling

(2016) Geun Ho Gu et al.   ACS Catalysis

Role of the Support and Reaction Conditions on the Vapor-Phase Deoxygenation of m-Cresol over Pt/C and Pt/TiO2 Catalysts

(2016) Michael B. Griffin et al.   ACS Catalysis

Anatase TiO2 Activated by Gold Nanoparticles for Selective Hydrodeoxygenation of Guaiacol to Phenolics

(2016) Jingbo Mao et al.   ACS Catalysis

Enhanced Hydrodeoxygenation of m-Cresol over Bimetallic Pt–Mo Catalysts through an Oxophilic Metal-Induced Tautomerization Pathway

(2016) Allison Robinson et al.   ACS Catalysis

DFT Analyses of Reaction Pathways and Temperature Effects on various Guaiacol Conversion Reactions in Gas Phase Environment

(2016) Anand Mohan Verma et al.   ChemistrySelect

Vapor phase hydrodeoxygenation and hydrogenation of m -cresol on silica supported Ni, Pd and Pt catalysts

(2015) Chen Chen et al.   CHEMICAL ENGINEERING SCIENCE

Catalytic Transformation of Lignin for the Production of Chemicals and Fuels

(2015) Changzhi Li et al.   CHEMICAL REVIEWS

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

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

Guaiacol Hydrodeoxygenation over Platinum Catalyst: Reaction Pathways and Kinetics

(2015) Danni Gao et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Theoretical investigation of the reaction mechanism of the hydrodeoxygenation of guaiacol over a Ru(0 0 0 1) model surface

(2015) Jianmin Lu et al.   JOURNAL OF CATALYSIS

Predicting Promoter-Induced Bond Activation on Solid Catalysts Using Elementary Bond Orders

(2015) Charlie Tsai et al.   Journal of Physical Chemistry Letters

Introducing structural sensitivity into adsorption–energy scaling relations by means of coordination numbers

(2015) Federico Calle-Vallejo et al.   Nature Chemistry

Theoretical Investigation of the Reaction Mechanism of the Guaiacol Hydrogenation over a Pt(111) Catalyst

(2015) Jianmin Lu et al.   ACS Catalysis

Role of Keto Intermediates in the Hydrodeoxygenation of Phenol over Pd on Oxophilic Supports

(2015) Priscilla M. de Souza et al.   ACS Catalysis

Experimental and Theoretical Insights into the Hydrogen-Efficient Direct Hydrodeoxygenation Mechanism of Phenol over Ru/TiO2

(2015) Ryan C. Nelson et al.   ACS Catalysis

Different Product Distributions and Mechanistic Aspects of the Hydrodeoxygenation of m-Cresol over Platinum and Ruthenium Catalysts

(2015) Qiaohua Tan et al.   ACS Catalysis

Role of Dissociation of Phenol in Its Selective Hydrogenation on Pt(111) and Pd(111)

(2015) Gaofeng Li et al.   ACS Catalysis

Catalytic fast pyrolysis of lignocellulosic biomass

(2014) Changjun Liu et al.   CHEMICAL SOCIETY REVIEWS

Guaiacol Hydrodeoxygenation Mechanism on Pt(111): Insights from Density Functional Theory and Linear Free Energy Relations

(2014) Kyungtae Lee et al.   ChemSusChem

Kinetics and mechanism of m-cresol hydrodeoxygenation on a Pt/SiO 2 catalyst

(2014) Lei Nie et al.   JOURNAL OF CATALYSIS

Understanding the Reactivity of Layered Transition-Metal Sulfides: A Single Electronic Descriptor for Structure and Adsorption

(2014) Charlie Tsai et al.   Journal of Physical Chemistry Letters

First-Principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase

(2014) Yeohoon Yoon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrodeoxygenation of Guaiacol over Ru(0001): A DFT Study

(2014) Cheng-chau Chiu et al.   ACS Catalysis

Phenol Deoxygenation Mechanisms on Fe(110) and Pd(111)

(2014) Alyssa J. R. Hensley et al.   ACS Catalysis

Brønsted–Evans–Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules

(2014) Shengguang Wang et al.   ACS Catalysis

Upgrading of lignin-derived bio-oils by catalytic hydrodeoxygenation

(2013) Majid Saidi et al.   Energy & Environmental Science

Carbon-supported bimetallic Pd–Fe catalysts for vapor-phase hydrodeoxygenation of guaiacol

(2013) Junming Sun et al.   JOURNAL OF CATALYSIS

Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids

(2013) Stefan Maintz et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Selective conversion of m-cresol to toluene over bimetallic Ni–Fe catalysts

(2013) Lei Nie et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Hydrogenolysis Goes Bio: From Carbohydrates and Sugar Alcohols to Platform Chemicals

(2012) Agnieszka M. Ruppert et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Gas-phase hydrodeoxygenation of guaiacol over iron-based catalysts. Effect of gases composition, iron load and supports (silica and activated carbon)

(2012) R. Olcese et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Characterization and catalytic properties of Ni and NiCu catalysts supported on ZrO2–SiO2 for guaiacol hydrodeoxygenation

(2012) Xinghua Zhang et al.   CATALYSIS COMMUNICATIONS

Designing bimetallic catalysts for a green and sustainable future

(2012) Meenakshisundaram Sankar et al.   CHEMICAL SOCIETY REVIEWS

Bimetallic catalysts for upgrading of biomass to fuels and chemicals

(2012) David Martin Alonso et al.   CHEMICAL SOCIETY REVIEWS

Comparison of kinetics, activity and stability of Ni/HZSM-5 and Ni/Al2O3-HZSM-5 for phenol hydrodeoxygenation

(2012) Chen Zhao et al.   JOURNAL OF CATALYSIS

Hydrodeoxygenation of m-cresol over gallium-modified beta zeolite catalysts

(2012) Artit Ausavasukhi et al.   JOURNAL OF CATALYSIS

The Synergy of the Support Acid Function and the Metal Function in the Catalytic Hydrodeoxygenation of m-Cresol

(2012) Andrew J. Foster et al.   TOPICS IN CATALYSIS

A Theoretical and Computational Analysis of Linear Free Energy Relations for the Estimation of Activation Energies

(2012) Jonathan E. Sutton et al.   ACS Catalysis

Aqueous Phase Hydroalkylation and Hydrodeoxygenation of Phenol by Dual Functional Catalysts Comprised of Pd/C and H/La-BEA

(2012) Chen Zhao et al.   ACS Catalysis

Ni-based sol–gel catalysts as promising systems for crude bio-oil upgrading: Guaiacol hydrodeoxygenation study

(2011) M.V. Bykova et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Gas-phase hydrodeoxygenation of guaiacol over Fe/SiO2 catalyst

(2011) R.N. Olcese et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Catalytic roles of metals and supports on hydrodeoxygenation of lignin monomer guaiacol

(2011) Cho Rim Lee et al.   CATALYSIS COMMUNICATIONS

Catalytic Reactions of Guaiacol: Reaction Network and Evidence of Oxygen Removal in Reactions with Hydrogen

(2011) Tarit Nimmanwudipong et al.   CATALYSIS LETTERS

A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior

(2011) M. Salciccioli et al.   CHEMICAL ENGINEERING SCIENCE

Catalytic conversion of lignocellulosic biomass to fine chemicals and fuels

(2011) Chun-Hui Zhou et al.   CHEMICAL SOCIETY REVIEWS

Anisole and Guaiacol Hydrodeoxygenation over Monolithic Pt–Sn Catalysts

(2011) Miguel Ángel González-Borja et al.   ENERGY & FUELS

Aqueous-phase hydrodeoxygenation of bio-derived phenols to cycloalkanes

(2011) Chen Zhao et al.   JOURNAL OF CATALYSIS

Bifunctional transalkylation and hydrodeoxygenation of anisole over a Pt/HBeta catalyst

(2011) Xinli Zhu et al.   JOURNAL OF CATALYSIS

Selective conversion of furfural to methylfuran over silica-supported NiFe bimetallic catalysts

(2011) Surapas Sitthisa et al.   JOURNAL OF CATALYSIS

Universal transition state scaling relations for (de)hydrogenation over transition metals

(2011) S. Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

Catalytic conversion of compounds representative of lignin-derived bio-oils: a reaction network for guaiacol, anisole, 4-methylanisole, and cyclohexanone conversion catalysed by Pt/γ-Al2O3

(2011) Ron C. Runnebaum et al.   Catalysis Science & Technology

Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions

(2010) Shengguang Wang et al.   CATALYSIS LETTERS

Communications: Exceptions to the d-band model of chemisorption on metal surfaces: The dominant role of repulsion between adsorbate states and metal d-states

(2010) Hongliang Xin et al.   JOURNAL OF CHEMICAL PHYSICS

In SituThin Film Growth Stresses during Chemical Ordering

(2010) B. Fu et al.   PHYSICAL REVIEW LETTERS

Co-processing of pyrolisis bio oils and gas oil for new generation of bio-fuels: Hydrodeoxygenation of guaïacol and SRGO mixed feed

(2009) Van Ngoc Bui et al.   CATALYSIS TODAY

Reactivity Theory of Transition-Metal Surfaces: A Brønsted−Evans−Polanyi Linear Activation Energy−Free-Energy Analysis

(2009) Rutger A. van Santen et al.   CHEMICAL REVIEWS

Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Brønsted−Evans−Polanyi Relations

(2009) P. Ferrin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hydrodeoxygenation of guaiacol on noble metal catalysts

(2008) A. Gutierrez et al.   CATALYSIS TODAY

Brønsted−Evans−Polanyi Relation of Multistep Reactions and Volcano Curve in Heterogeneous Catalysis

(2008) Jun Cheng et al.   Journal of Physical Chemistry C

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

(2008) F. Studt et al.   SCIENCE