Generalized Gradient Approximation Made Simple
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journal
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October 1996 |
Coverage-Dependent Adsorption at a Low Symmetry Surface: DFT and Statistical Analysis of Oxygen Chemistry on Kinked Pt(321)
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journal
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November 2013 |
Effects of Alkali Metal Oxide Additives on Cu/SiO 2 Catalyst in the Dehydrogenation of Ethanol
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journal
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December 2001 |
Mechanistic insights on ethanol dehydrogenation on Pd–Au model catalysts: a combined experimental and DFT study
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journal
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January 2017 |
Novel highly active Ag–SiO2–Al2O3–ZnO catalyst for the production of anhydrous HCHO from direct dehydrogenation of CH3OH
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journal
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October 2004 |
Projector augmented-wave method
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journal
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December 1994 |
Mechanistic Study of Ethanol Dehydrogenation over Silica-Supported Silver
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journal
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May 2013 |
Single-Atom Alloy Catalysis
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journal
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June 2020 |
Tri-metallic transition metal–nitrogen–carbon catalysts derived by sacrificial support method synthesis
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journal
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October 2013 |
Comprehensive Benchmarking of a Density-Dependent Dispersion Correction
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journal
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October 2011 |
Decomposition of Ethanol on Pd(111): A Density Functional Theory Study
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journal
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February 2010 |
Structure Revealing H/D Exchange with Co-Adsorbed Hydrogen and Water on Gold
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journal
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July 2012 |
Surface Structure Dependence of the Dry Dehydrogenation of Alcohols on Cu(111) and Cu(110)
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journal
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June 2017 |
Bond activation sequence observed in the chemisorption and surface reaction of ethanol on Ni(111)
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journal
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May 1986 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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journal
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January 1999 |
Dehydrogenation of alcohols over potassium zinc aluminum silicate hydroxide
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journal
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September 1999 |
O H versus C H bond scission sequence in ethanol decomposition on Pd(111)
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journal
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January 2014 |
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
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journal
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October 2011 |
Dry Dehydrogenation of Ethanol on Pt–Cu Single Atom Alloys
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journal
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October 2017 |
Reactive and Inert Surface Species Observed during Methanol Oxidation over Silica-Supported Molybdenum Oxide
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journal
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November 2002 |
XPS, UPS and thermal desorption studies of alcohol adsorption on Cu(110)
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journal
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May 1982 |
XSEDE: Accelerating Scientific Discovery
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journal
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September 2014 |
Mechanistic and Electronic Insights into a Working NiAu Single-Atom Alloy Ethanol Dehydrogenation Catalyst
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journal
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December 2021 |
Ab initiomolecular dynamics for liquid metals
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journal
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January 1993 |
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives
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journal
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October 1999 |
Direct conversion of methanol to formaldehyde in the absence of oxygen on Cu(210)
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journal
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December 1995 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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journal
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December 2000 |
Water co-catalyzed selective dehydrogenation of methanol to formaldehyde and hydrogen
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journal
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August 2016 |
Molecular-Scale Perspective of Water-Catalyzed Methanol Dehydrogenation to Formaldehyde
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journal
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June 2013 |
Selectivity for ethanol partial oxidation: the unique chemistry of single-atom alloy catalysts on Au, Ag, and Cu(111)
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journal
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January 2019 |
Sulfur-passivated nickel catalysts for carbon-free steam reforming of methane
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journal
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January 1984 |
Anhydrous Methanol and Ethanol Dehydrogenation at Cu(111) Step Edges
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journal
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August 2018 |
The direct transformation of ethanol to ethyl acetate over Cu/SiO 2 catalysts that contain copper phyllosilicate
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journal
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July 2014 |
Surface intermediates in the reaction of methanol, formaldehyde and methyl formate on copper (110)
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journal
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May 1985 |
XPS study of silver, nickel and bimetallic silver–nickel nanoparticles prepared by seed-mediated growth
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journal
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September 2012 |
Bridges-2: A Platform for Rapidly-Evolving and Data Intensive Research
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conference
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July 2021 |
Partial oxidation of methane to synthesis gas using carbon dioxide
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journal
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July 1991 |
Selective oxidation of alcohols and aldehydes on metal catalysts
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journal
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March 2000 |
Special points for Brillouin-zone integrations
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journal
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June 1976 |
NiCu single atom alloys catalyze the C H bond activation in the selective non- oxidative ethanol dehydrogenation reaction
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journal
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June 2018 |
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
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journal
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May 1994 |
The selective oxidation of CH3OH to H2CO on a copper(110) catalyst
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journal
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June 1978 |
FT-IRAS of Adsorbed Alkoxides: Fluorinated Ethoxides on Cu(111)
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journal
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January 1996 |
In situ DRIFTS Studies on Cu, Ni and CuNi catalysts for Ethanol Decomposition Reaction
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journal
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February 2016 |
Deactivation dynamics of a Ni supported catalyst during the steam reforming of volatiles from waste polyethylene pyrolysis
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journal
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July 2017 |
Industrial relevance of coking
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journal
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August 1997 |
Stable and metastable phases of water adsorbed on Cu(111)
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journal
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February 1992 |
Single-Atom Alloys as a Reductionist Approach to the Rational Design of Heterogeneous Catalysts
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journal
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December 2018 |
Atomic-Scale Surface Structure and CO Tolerance of NiCu Single-Atom Alloys
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journal
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October 2019 |
Selective oxidation of ethanol to acetaldehyde over Au–Cu catalysts prepared by a redox method
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journal
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March 2015 |
Selective non-oxidative dehydrogenation of ethanol to acetaldehyde and hydrogen on highly dilute NiCu alloys
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journal
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May 2017 |
Combined DFT, Microkinetic, and Experimental Study of Ethanol Steam Reforming on Pt
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journal
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February 2013 |
Design of a Surface Alloy Catalyst for Steam Reforming
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journal
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March 1998 |
Influence of Metal Oxide Support Acid Sites on Cu-Catalyzed Nonoxidative Dehydrogenation of Ethanol to Acetaldehyde
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journal
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March 2019 |
First observation of highly efficient dehydrogenation of methanol to anhydrous formaldehyde over novel Ag–SiO 2 –MgO–Al 2 O 3 catalyst
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journal
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January 2003 |
Ethanol decomposition on Ni(111): observation of ethoxy formation by IRAS and other methods
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journal
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October 1991 |
Ethanol dehydrogenation by gold catalysts: The effect of the gold particle size and the presence of oxygen
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journal
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June 2009 |
Decarbonylation and decomposition pathways of alcohol's on Pd(111)
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journal
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September 1987 |
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
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journal
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December 2000 |
Steam reforming of methane over Ni/SiO2 catalyst with enhanced coke resistance at low steam to methane ratio
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journal
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November 2015 |
NiAu Single Atom Alloys for the Non-oxidative Dehydrogenation of Ethanol to Acetaldehyde and Hydrogen
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journal
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March 2018 |
Catalysts for the control of coking during steam reforming
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journal
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February 1999 |
Influence of Dipole–Dipole Interactions on Coverage-Dependent Adsorption: CO and NO on Pt(111)
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journal
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May 2012 |
FT-IRAS of adsorbed alkoxides: ethoxides on Cu(111)
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journal
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December 1995 |