Understanding Activity Trends in Furfural Hydrogenation on Transition Metal Surfaces

Furfural hydrogenation over Cu, Ni, Pd, Pt, Re, Rh and Ru catalysts: Ab initio modelling of adsorption, desorption and reaction micro-kinetics

(2022) Rok Šivec et al.   CHEMICAL ENGINEERING JOURNAL

Dilute Alloys Based on Au, Ag, or Cu for Efficient Catalysis: From Synthesis to Active Sites

(2022) Jennifer D. Lee et al.   CHEMICAL REVIEWS

Selectivity of the First Two Glycerol Dehydrogenation Steps Determined Using Scaling Relationships

(2021) Mikael Valter et al.   ACS Catalysis

Zeolite-Encapsulated Cu Nanoparticles for the Selective Hydrogenation of Furfural to Furfuryl Alcohol

(2021) Peng Cao et al.   ACS Catalysis

PdCu single atom alloys supported on alumina for the selective hydrogenation of furfural

(2021) Mohammed J. Islam et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Single-Atom Alloy Catalysis

(2020) Ryan T. Hannagan et al.   CHEMICAL REVIEWS

Effect of Oxide Supports on the Activity of Pd Based Catalysts for Furfural Hydrogenation

(2020) Mi Yeon Byun et al.   Catalysts

The effect of metal precursor on copper phase dispersion and nanoparticle formation for the catalytic transformations of furfural

(2020) Mohammed J. Islam et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Single atom alloy: An emerging atomic site material for catalytic applications

(2020) Junjie Mao et al.   Nano Today

Development of bimetallic Ni-Cu/SiO2 catalysts for liquid phase selective hydrogenation of furfural to furfuryl alcohol

(2020) Patcharaporn Weerachawanasak et al.   CATALYSIS COMMUNICATIONS

Cu2O(100) surface as an active site for catalytic furfural hydrogenation

(2020) Jihyeon Lee et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Atom efficient PtCu bimetallic catalysts and ultra dilute alloys for the selective hydrogenation of furfural

(2020) Martin J. Taylor et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Selective Production of Furan from Gas-Phase Furfural Decarbonylation on Ni-MgO Catalysts

(2019) Carmen P. Jiménez-Gómez et al.   ACS Sustainable Chemistry & Engineering

A Control over Hydrogenation Selectivity of Furfural via Tuning Exposed Facet of Ni Catalysts

(2019) Xiaoyu Meng et al.   ACS Catalysis

Adsorption Preference Determines Segregation Direction: A Shortcut to More Realistic Surface Models of Alloy Catalysts

(2019) Sihang Liu et al.   ACS Catalysis

Solvent-mediated charge separation drives alternative hydrogenation path of furanics in liquid water

(2019) Zheng Zhao et al.   Nature Catalysis

Recent Advances in Catalytic Hydrogenation of Furfural

(2019) Yantao Wang et al.   Catalysts

Economics of biofuels: Market potential of furfural and its derivatives

(2018) Kaveh Dalvand et al.   BIOMASS & BIOENERGY

Towards industrial furfural conversion: Selectivity and stability of palladium and platinum catalysts under continuous flow regime

(2018) Weiyi Ouyang et al.   CATALYSIS TODAY

Single pot selective hydrogenation of furfural to 2-methylfuran over carbon supported iridium catalysts

(2018) Nandan S. Date et al.   GREEN CHEMISTRY

Hydrolysis of Hemicellulose and Derivatives—A Review of Recent Advances in the Production of Furfural

(2018) Frederic Delbecq et al.   Frontiers in Chemistry

Investigating Reaction Mechanisms for Furfural Hydrodeoxygenation on Ni and the Effect of Boron Doping on the Activity and Selectivity of the Catalyst

(2018) Arghya Banerjee et al.   Journal of Physical Chemistry C

Catalytic Hydrogenation and Hydrodeoxygenation of Furfural over Pt(111): A Model System for the Rational Design and Operation of Practical Biomass Conversion Catalysts

(2017) Martin J. Taylor et al.   Journal of Physical Chemistry C

Mechanistic Insights Evaluating Ag, Pb, and Ni as Electrocatalysts for Furfural Reduction from First-Principles Methods

(2017) Nannan Shan et al.   Journal of Physical Chemistry C

The atomic simulation environment—a Python library for working with atoms

(2017) Ask Hjorth Larsen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Metal-organic frameworks derived bimetallic Cu-Co catalyst for efficient and selective hydrogenation of biomass-derived furfural to furfuryl alcohol

(2017) Yuan Wang et al.   Molecular Catalysis

Atomic-Scale Observations of Catalyst Structures under Reaction Conditions and during Catalysis

(2016) Franklin (Feng) Tao et al.   CHEMICAL REVIEWS

Furfural: a renewable and versatile platform molecule for the synthesis of chemicals and fuels

(2016) R. Mariscal et al.   Energy & Environmental Science

Gas-phase hydrogenation of furfural to furfuryl alcohol over Cu/ZnO catalysts

(2016) Carmen Pilar Jiménez-Gómez et al.   JOURNAL OF CATALYSIS

Tuning the synthesis of platinum–copper nanoparticles with a hollow core and porous shell for the selective hydrogenation of furfural to furfuryl alcohol

(2016) Shuangshuang Huang et al.   Nanoscale

Furfural: A Promising Platform Compound for Sustainable Production of C4 and C5 Chemicals

(2016) Xiaodan Li et al.   ACS Catalysis

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

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

Selective Hydrogenation of Furfural to Furfuryl Alcohol in the Presence of a Recyclable Cobalt/SBA-15 Catalyst

(2015) Maïté Audemar et al.   ChemSusChem

Catalytic conversion of furfural to industrial chemicals over supported Pt and Pd catalysts

(2015) S. Bhogeswararao et al.   JOURNAL OF CATALYSIS

Cr-free Cu-catalysts for the selective hydrogenation of biomass-derived furfural to 2-methylfuran: The synergistic effect of metal and acid sites

(2015) Fang Dong et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Ring Activation of Furanic Compounds on Ruthenium-Based Catalysts

(2015) Alexander V. Mironenko et al.   Journal of Physical Chemistry C

Exploring Furfural Catalytic Conversion on Cu(111) from Computation

(2015) Yun Shi et al.   ACS Catalysis

Deoxygenation of Biomass-Derived Oxygenates: Reaction of Furfural on Zn-Modified Pt(111)

(2015) Daming Shi et al.   ACS Catalysis

Integrated biorefinery model based on production of furans using open-ended high yield processes

(2014) Anurag Mandalika et al.   GREEN CHEMISTRY

Hydrogenation of furfural over Pd–Cu/Al2O3 catalysts. The role of interaction between palladium and copper on determining catalytic properties

(2014) M. Lesiak et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Effects of Thiol Modifiers on the Kinetics of Furfural Hydrogenation over Pd Catalysts

(2014) Simon H. Pang et al.   ACS Catalysis

Coverage-Induced Conformational Effects on Activity and Selectivity: Hydrogenation and Decarbonylation of Furfural on Pd(111)

(2014) Shengguang Wang et al.   ACS Catalysis

Furfuryl alcohol from furfural hydrogenation over copper supported on SBA-15 silica catalysts

(2013) D. Vargas-Hernández et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Effects of van der Waals density functional corrections on trends in furfural adsorption and hydrogenation on close-packed transition metal surfaces

(2013) Bin Liu et al.   SURFACE SCIENCE

Total Hydrogenation of Furfural over a Silica-Supported Nickel Catalyst Prepared by the Reduction of a Nickel Nitrate Precursor

(2012) Yoshinao Nakagawa et al.   ChemCatChem

Deactivation mechanistic studies of copper chromite catalyst for selective hydrogenation of 2-furfuraldehyde

(2012) Dongxia Liu et al.   JOURNAL OF CATALYSIS

DFT Study of Furfural Conversion to Furan, Furfuryl Alcohol, and 2-Methylfuran on Pd(111)

(2012) Vassili Vorotnikov et al.   ACS Catalysis

Adsorption and Reaction of Furfural and Furfuryl Alcohol on Pd(111): Unique Reaction Pathways for Multifunctional Reagents

(2011) Simon H. Pang et al.   ACS Catalysis

Kinetics and mechanism of hydrogenation of furfural on Cu/SiO2 catalysts

(2010) Surapas Sitthisa et al.   JOURNAL OF CATALYSIS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS