Research Interests
Theoretical and computational studies of catalytical chemistry and combustion chemistry
Selected Publications (full list via Google Scholar)
1. X. Yang, W. Liang, T. Tan, C. K., Law Reevaluation of the Reaction Rate of H + O2 (+ M) = HO2 (+ M) at Elevated Pressures, Combust. Flame 217, 103–112 (2020).
2. A. Curto, Z. Sun, J. Rodrguez-Fernndez, L. Zhang, A. Parikh, T. Tan, J. V. Lauritsen, and A. Vojvodic, Anisotropic Iron-Doping Patterns in Two-Dimensional Cobalt Oxide Nanoislands on Au(111), Nano Res. 12, 2364-2372 (2019).
3. J. Rodrguez-Fernndez, Z. Sun, L. Zhang, T. Tan, J. Fester, A. Vojvodic and J. V. Lauritsen Structural and electronic properties of Fe dopants in cobalt oxide nanoislands on Au(111), J. Chem. Phys. 150, 041731 (2019).
4. D. Felsmann, H. Zhao, Q. Wang, I. Graf, T. Tan, X. Yang, E. A. Carter, Y. Ju, and K. Kohse-Hoinghaus, Contributions to Improving Small Ester Combustion Chemistry: Theory, Model and Experiments, Proc. Combust. Inst. 36, 543-551 (2017).
5. T. Tan, X. Yang, Y. Ju, and E. A. Carter, Ab initio Kinetics Studies of Hydrogen Atom Abstraction from Methyl Propanoate, Phys. Chem. Chem. Phys. 18, 4594-4607 (2016).
6. T. Tan, X. Yang, Y. Ju, and E. A. Carter, Ab initio Pressure-Dependent Reaction Kinetics of Methyl Propanoate Radicals, Phys. Chem. Chem. Phys. 17, 31061-31072 (2015).
7. T. Tan, X. Yang, Y. Ju, and E. A. Carter, Ab initio Reaction Kinetics of CH3OC(=O) and CH2OC(=O)H Radicals, J. Phys. Chem. B 120,1590-1600 (2015).
8. T. Tan, X. Yang, Y. Ju, and E. A. Carter, Ab initio Unimolecular Reaction Kinetics of CH2C(=O)OCH3 and CH3C(=O)OCH2 Radicals, J. Phys. Chem. A 119, 10553- 10562 (2015).
9. T. Tan, X. Yang, C. M, Krauter, Y. Ju, and E. A. Carter, Ab initio Reaction Kinetics of Hydrogen Abstraction from Methyl Acetate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radical, J. Phys. Chem. A 119, 6377-6390 (2015).
10. X. Yang, D. Felsmann, N. Kurimoto, K. Kohse-Hoinghaus, T. Wada, T. Tan, E. A. Carter, K. Kohse-Hoinghaus, and Y. Ju, Kinetic Studies of Methyl Acetate Pyrolysis and Oxidation in a Flow Reactor and a Low-pressure Flat Flame Using Molecular-beam Mass Spectrometry, Proc. Combust. Inst. 35, 491-498 (2015).
11. V. B. Oyeyemi, J. M. Dieterich, D. B. Krisiloff, T. Tan, and E. A. Carter, Bond Dissociation Energies of C10 and C18 Methyl Esters from Local Multireference Averaged-coupled Pair Functional Theory, J. Phys. Chem. A 119, 3429 (2015).
12. T. Tan, M. Pavone, D. B. Krisiloff, and E. A. Carter, Ab initio Reaction Kinetics of Hydrogen Abstraction from Methyl Formate by Hydrogen, Methyl, Oxygen, Hydroxyl, and Hydroperoxy Radicals, J. Phy. Chem. A 116, 8431-8443 (2012).
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