Microkinetic modelling of heterogeneous catalysis revisited: Adsorption energies can triumph over activation barriers
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OpenAlex topics: Electrocatalysts for Energy Conversion · Catalysis and Oxidation Reactions · Catalytic Processes in Materials Science
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References (21)
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1. Heterogeneous catalysis: A central science for a sustainable future10.1021/acs.accounts.6b00510 ↗
2. Understanding the optimal adsorption energies for catalyst screening in heterogeneous catalysis10.1021/cs400727f ↗
3. Heterogeneous catalysis10.1002/anie.201410738 ↗
4. Haber-Bosch and Other Industrial Processes10.1007/978-1-4020-3611-8_2 ↗
5. Propylene Epoxidation using Molecular Oxygen over Copper-and Silver-Based Catalysts: A Review10.1021/acscatal.0c03340 ↗
6. Ziegler-Natta catalysis I. Mechanism of polymerization of α-olefins with Ziegler-Natta catalysts10.1016/0021-9517(64)90095-8 ↗
7. From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis10.1016/j.jcat.2014.12.033 ↗
8. Brønsted-evans-polanyi and transition state scaling relations of furan derivatives on pd(111) and their relation to those of small molecules10.1021/cs400942u ↗
9. Micro-kinetic modelling of photocatalytic CO2 reduction over undoped and N-doped TiO2, Catal
10. Bell-Evans-Polanyi principle for molecular dynamics trajectories and its implications for global optimization10.1103/PhysRevE.77.056707 ↗
11. Development and Assessment of a Criterion for the Application of Brønsted-Evans-Polanyi Relations for Dissociation Catalytic Reactions at Surfaces10.1021/acs.iecr.9b01628 ↗
12. Connection between macroscopic kinetic measurables and the degree of rate control10.1039/C7CY01246B ↗
13. The Hydrogen-Bromine Reaction at Elevated Temperatures10.1021/ja01604a013 ↗
14. Future Directions and Industrial Perspectives Micro- and macro-kinetics: Their relationship in heterogeneous catalysis10.1007/BF01492288 ↗
15. Finding the rate-determining step in a mechanism: Comparing DeDonder relations with the “Degree of Rate Control”10.1006/jcat.2001.3396 ↗
16. C. Stegelmann, A. Andreasen, C.T. Campbell, Degree of rate control: How much the energies of intermediates and transition states control Rates (Journal of the American Chemical Society (2009), 131, (8077-8082)), J. Am. Chem. Soc. 131 (2009) 13563. https://doi.org/10.1021/ja9065199.10.1021/ja9000097 ↗
17. The Degree of Rate Control: A Powerful Tool for Catalysis Research10.1021/acscatal.7b00115 ↗
18. A density functional theory study of ethylene hydrogenation on MgO- and γ-Al2O3-supported carbon-containing Ir4 clusters10.1039/C4CP02958E ↗
19. Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons10.1063/1.1420703 ↗
20. W. Tsang, Energetics of Organic Free Radicals, National Institute of Standards and Technology, in: J.A. Martinho Simoes, A. Greenberg, J.F. Liebman, eds., Blackie Academic and Professional, London, 1996.
21. M.W.J. Chase, NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monogr. 9. (1998) 1–1951.