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Journal of Catalysis, ISSN 0021-9517, 08/2015, Volume 328, Issue C, pp. 36 - 42
[Display omitted] •Metal catalysis theory from scaling relations, activity maps, and d-band model.•Bond strength in Sabatier principle is given quantitatively... 
Sabatier principle | Scaling relation | Heterogeneous catalysis | Transition metals | DFT | Theory | Computational catalysis | Descriptor | omputational catalysis | SYNTHESIS GAS | CONVERSION | CHEMISTRY, PHYSICAL | ADSORPTION | ENGINEERING, CHEMICAL | CO HYDROGENATION | AMMONIA-SYNTHESIS | OXYGEN REDUCTION | CHEMISTRY | DENSITY-FUNCTIONAL THEORY | ELECTRONIC-STRUCTURE | SURFACES
Journal Article
ACS Catalysis, ISSN 2155-5435, 12/2018, Volume 8, Issue 12, pp. 11966 - 11972
The Sabatier principle states that optimal catalysis occurs when interactions between catalyst and substrate are of intermediary strength. Although qualitative... 
Sabatier principle | protein engineering | heterogeneous catalysis | volcano curve | cellulose | cellulase | enzyme kinetics | linear free energy relationship | CELLULOSE-BINDING | DESIGN | MECHANISM | TRICHODERMA-REESEI | HYDROLYSIS | CHEMISTRY, PHYSICAL | CARBOHYDRATE-BINDING MODULES | AFFINITY | KINETICS | BIOSENSOR | REAL-TIME MEASUREMENTS
Journal Article
ACS Catalysis, ISSN 2155-5435, 04/2013, Volume 3, Issue 4, pp. 560 - 564
Advances in DNA bionanotechnology have led to the ability to create structures with well-defined chemical and physical features at the nanoscale. Such... 
enzymes | Sabatier | DNA interactions | nanostructures | horseradish peroxidase | ORGANIZATION | CHEMISTRY, PHYSICAL | BINDING
Journal Article
Beilstein Journal of Nanotechnology, ISSN 2190-4286, 2014, Volume 5, Issue 1, pp. 846 - 854
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 05/2010, Volume 49, Issue 22, pp. 3723 - 3725
Beyond platinum: A recently reported nickel‐based molecular catalyst stands out as one of the best non‐platinum‐based catalysts developed for the... 
coordination modes | Sabatier principle | hydrogen | electrochemistry | homogeneous catalysis | Electrochemistry | Coordination modes | Hydrogen | Homogeneous catalysis | EVOLUTION | ELECTROCATALYSIS | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
ACS CATALYSIS, ISSN 2155-5435, 08/2019, Volume 9, Issue 8, pp. 6929 - 6937
Acceleration of the catalytic transformation of molecules via heterogeneous materials occurs through design of active binding sites to optimally balance the... 
OXIDATION | sabatier | ELECTROCHEMICAL PROMOTION | FIELD-EFFECT MODULATION | DECOMPOSITION | CHEMISTRY, PHYSICAL | catalysis | resonance | frequency | dynamics | AMMONIA-SYNTHESIS | SCALING RELATIONS | BACK | volcano | STRAIN | Chemistry
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 03/2018, Volume 57, Issue 11, p. n/a
Electrocatalysis In their Communication on page 2800 ff., I. E. L. Stephens et al. alloy Cu into the subsurface of Pt(111) to tune the oxygen reduction... 
Sabatier principle | platinum | surface chemistry | electrocatalysis | oxygen reduction | Alloys | Platinum base alloys | Oxygen | Copper base alloys | Volcanoes | Platinum | Intermediates
Journal Article
Angewandte Chemie International Edition, ISSN 1433-7851, 03/2018, Volume 57, Issue 11, pp. 2800 - 2805
The relationship between the binding of the reaction intermediates and oxygen reduction activity in alkaline media was experimentally explored. By introducing... 
Sabatier principle | platinum | surface chemistry | electrocatalysis | oxygen reduction | NONCOVALENT INTERACTIONS | ADSORPTION | ELECTROLYTE FUEL-CELLS | OXIDE CATALYSTS | BATTERIES | CHEMISTRY, MULTIDISCIPLINARY | EVOLUTION | STEPPED PLATINUM SURFACES | ACIDIC MEDIA | WATER | Alloys | Volcanoes | Binding | Single crystals | Reduction | Platinum base alloys | Oxygen | Catalysts | Platinum | Copper base alloys | Catalysis | Copper | Intermediates
Journal Article
Chemical Society Reviews, ISSN 0306-0012, 05/2003, Volume 32, Issue 3, pp. 151 - 157
First-principles molecular dynamics simulations have recently been found an effective tool to study a large variety of chemical problems. Finite temperature... 
NATTA HETEROGENEOUS CATALYSIS | METHANOL | PERSPECTIVE | MECHANISM | AB-INITIO | COMPLEXES | ADSORPTION | ETHYLENE POLYMERIZATION | CHEMISTRY, MULTIDISCIPLINARY | SABATIER | SURFACES | Models, Molecular | Thermodynamics | Catalysis | Models, Chemical | Biochemistry - methods | Computer Simulation
Journal Article
Electrocatalysis, ISSN 1868-2529, 5/2015, Volume 6, Issue 3, pp. 263 - 273
Journal Article
ACS Catalysis, ISSN 2155-5435, 05/2014, Volume 4, Issue 5, pp. 1274 - 1278
Metal carbide catalysts are alternative nonprecious electrode materials for electrochemical energy conversion devices, such as for H2 fuel cells or... 
Sabatier principle | sustainable fuels | renewable energy | surfaces | electrocatalysis | POTENTIAL APPLICATION | TUNGSTEN CARBIDES | ELECTROCHEMICAL STABILITY | CHEMISTRY, PHYSICAL | TOTAL-ENERGY CALCULATIONS | WIDE PH | ELECTROCATALYSTS | REDUCTION | TEMPERATURE | CARBON-MONOXIDE
Journal Article
Electrochemistry Communications, ISSN 1388-2481, 12/2016, Volume 73, pp. 42 - 45
The energy of activation for the Volmer step of the hydrogen evolution reaction on silver electrodes is evaluated using our own theory of electrocatalysis. The... 
Sabatier principle | Electrocatalysis | Kinetics | Vicinal surfaces | Hydrogen evolution | ELECTROCHEMISTRY | HYDROGEN OXIDATION | ELECTRODES | Density functionals | Thermodynamics | Activation energy | Analysis
Journal Article
Journal of Hazardous Materials, ISSN 0304-3894, 01/2020, Volume 381, p. 121037
[Display omitted] •Catalytic oxidation of Hg0 by O2 on MoO3-CeO2 catalyst was studied.•MoO3 results in the explosion of additional CeO2 (111) surface.•CeO2 and... 
Sabatier principle | Hg0 removal | DFT calculation | Catalytic oxidation | Synergistic coupling effect
Journal Article
Dalton Transactions, ISSN 1477-9226, 09/2010, Volume 39, Issue 36, pp. 8420 - 8422
Within the framework of volcano curves, a kinetic study of toluene hydrogenation catalyzed by transition metal sulfides highlights the variation of the... 
DENSITY | HYDRODESULFURIZATION | H2S | HETEROGENEOUS CATALYSIS | PRINCIPLE | SABATIER | CHEMISTRY, INORGANIC & NUCLEAR | Catalysis | Environmental and Society | Chemical Sciences | Environmental Sciences
Journal Article
Catalysis Today, ISSN 0920-5861, 1999, Volume 50, Issue 3, pp. 629 - 636
Journal Article
Science Bulletin, ISSN 2095-9273, 06/2019, Volume 64, Issue 11, pp. 723 - 729
[Display omitted] With the growing urgency of potential catastrophic climate changes due to anthropogenic CO2 emissions, numerous efforts have been devoted to... 
Sabatier principle | 12CO2/13CO2 | Drug-like amines | N-Methylation | Inorganic base catalysis
Journal Article
ACS CATALYSIS, ISSN 2155-5435, 11/2019, Volume 9, Issue 11, pp. 9964 - 9972
Electrocatalytic hydrogenation is increasingly studied as an alternative to integrate the use of recycled carbon feedstocks with renewable energy sources.... 
ELECTROSYNTHESIS | ACID | HYDROTHERMAL LIQUEFACTION | electrocatalytic hydrogenation | PLATINUM | CHEMISTRY, PHYSICAL | Sabatier principle | THERMAL CATALYSIS | BENZALDEHYDE | EVOLUTION | REDUCTION | H-2 evolution | ACETOPHENONE | theoretical thermodynamic descriptors | PHENOL HYDROGENATION
Journal Article
by Zhao, HT and Yin, SF and Lu, L and Rui, ZH and Zheng, CH and Hu, CX and Gao, X and Wu, T
JOURNAL OF HAZARDOUS MATERIALS, ISSN 0304-3894, 01/2020, Volume 381
Based on Volcano plotting, the controlled combination of weak and strong bond strengths of a bimetallic catalyst has the potential to maximize the catalytic... 
FIRED FLUE-GAS | SCR | MECHANISM | ADSORBENTS | TOTAL-ENERGY CALCULATIONS | SIMULTANEOUS REMOVAL | ADSORPTION | Sabatier principle | DFT calculation | ENVIRONMENTAL SCIENCES | Catalytic oxidation | Synergistic coupling effect | ENGINEERING, ENVIRONMENTAL | SPECIATION | ELEMENTAL MERCURY OXIDATION | Hg-0 removal
Journal Article
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