Publications of Alexander Kandratsenka

Choudhury, A.; Sinha, S.; Harlander, D.; DeVine, J.; Kandratsenka, A.; Saalfrank, P.; Schwarzer, D.; Wodtke, A. M.: Manipulating tunnelling gateways in condensed phase isomerization. Natural Sciences 3 (3), e20230006 (2023)

Quan, J.; Yin, R.; Zhao, Z.; Yang, X.; Kandratsenka, A.; Auerbach, D. J.; Wodtke, A. M.; Guo, H.; Park, G. B.: Highly Rotationally Excited N₂ Reveals Transition-State Character in the Thermal Decomposition of N₂O on Pd(110). Journal of the American Chemical Society 145 (22), pp. 12044 - 12050 (2023)

Fingerhut, J.; Lecroart, L.; Borodin, D.; Schwarzer, M.; Hoerandl, S.; Kandratsenka, A.; Auerbach, D. J.; Wodtke, A. M.; Kitsopoulos, T. N.: Binding Energy and Diffusion Barrier of Formic Acid on Pd(111). The Journal of Physical Chemistry A 127 (1), pp. 142 - 152 (2023)

Borodin, D.; Galparsoro, O.; Rahinov, I.; Fingerhut, J.; Schwarzer, M.; Horandl, S.; Auerbach, D. J.; Kandratsenka, A.; Schwarzer, D.; Kitsopoulos, T. N. et al.; Wodtke, A. M.: Steric Hindrance of NH₃ Diffusion on Pt(111) by Co-Adsorbed O-Atoms. Journal of the American Chemical Society 144 (47), pp. 21791 - 21799 (2022)

Choudhury, A.; DeVine, J.; Sinha, S.; Lau, J. A.; Kandratsenka, A.; Schwarzer, D.; Saalfrank, P.; Wodtke, A. M.: Condensed-phase isomerization through tunnelling gateways. Nature 612, pp. 691 - 695 (2022)

Zhang, Y.; Box, C. L.; Schäfer, T.; Kandratsenka, A.; Wodtke, A. M.; Maurer, R. J.; Jiang, B.: Stereodynamics of adiabatic and non-adiabatic energy transfer in a molecule surface encounter. Physical Chemistry Chemical Physics 24 (33), pp. 19753 - 19760 (2022)

Martin-Barrios, R.; Hertl, N.; Galparsoro, O.; Kandratsenka, A.; Wodtke, A. M.; Larregaray, P.: H atom scattering from W(110): A benchmark for molecular dynamics with electronic friction. Physical Chemistry Chemical Physics 24, pp. 20813 - 20819 (2022)

Hertl, N.; Kandratsenka, A.; Wodtke, A. M.: Effective medium theory for bcc metals: Electronically non-adiabatic H atom scattering in full dimensions. Physical Chemistry Chemical Physics 24 (15), pp. 8738 - 8748 (2022)

Borodin, D.; Hertl, N.; Park, G. B.; Schwarzer, M.; Fingerhut, J.; Wang, Y.; Zuo, J.; Nitz, F.; Skoulatakis, G.; Kandratsenka, A. et al.; Auerbach, D. J.; Schwarzer, D.; Guo, H.; Kitsopoulos, T. N.; Wodtke, A. M.: Quantum effects in thermal reaction rates at metal surfaces. Science 377, pp. 394 - 398 (2022)

Borodin, D.; Rahinov, I.; Galparsoro, O.; Fingerhut, J.; Schwarzer, M.; Golibrzuch, K.; Skoulatakis, G.; Auerbach, D. J.; Kandratsenka, A.; Kitsopoulos, T. N. et al.; Wodtke, A. M.: Kinetics of NH3 desorption and diffusion on Pt: Implications for the Ostwald process. Journal of the American Chemical Society 143 (43), pp. 18305 - 18316 (2021)

Lecroart, L.; Hertl, N.; Dorenkamp, Y.; Jiang, H.; Kitsopoulos, T. N.; Kandratsenka, A.; Bünermann, O.; Wodtke, A. M.: Adsorbate modification of electronic nonadiabaticity: H atom scattering from p(2 × 2) O on Pt(111). The Journal of Chemical Physics 155 (3), 034702 (2021)

Hertl, N.; Kandratsenka, A.; Bünermann, O.; Wodtke, A. M.: Multibounce and subsurface scattering of H atoms colliding with a van der Waals solid. The Journal of Physical Chemistry A 125 (26), pp. 5745 - 5762 (2021)

Hertl, N.; Martin-Barrios, R.; Galparsoro, O.; Larrégaray, P.; Auerbach, D. J.; Schwarzer, D.; Wodtke, A. M.; Kandratsenka, A.: Random force in molecular dynamics with electronic friction. The Journal of Physical Chemistry C 125 (26), pp. 14468 - 14473 (2021)

Bünermann, O.; Kandratsenka, A.; Wodtke, A. M.: Inelastic scattering of H atoms from surfaces. Journal of Physical Chemistry A 125 (15), pp. 3059 - 3076 (2021)

Jiang, H.; Tao, X.; Kammler, M.; Ding, F.; Wodtke, A.; Kandratsenka, A.; Miller III, T. F.; Bünermann, O.: Small nuclear quantum effects in scattering of H and D from graphene. Journal of Physical Chemistry Letters 12 (7), pp. 1991 - 1996 (2021)

Wille, S.; Jiang, H.; Bünermann, O.; Wodtke, A. M.; Behler, J.; Kandratsenka, A.: An experimentally validated neural-network potential energy surface for H-atom on free-standing graphene in full dimensionality. Physical Chemistry Chemical Physics 22 (45), pp. 26113 - 26120 (2020)

Borodin, D.; Rahinov, I.; Shirhatti, P. R.; Huang, M.; Kandratsenka, A.; Auerbach, D. J.; Zhong, T.; Guo, H.; Schwarzer, D.; Kitsopoulos, T. N. et al.; Wodtke, A. M.: Following the microscopic pathway to adsorption through chemisorption and physisorption wells. Science 369 (6510), pp. 1461 - 1465 (2020)

Galparsoro, O.; Kaufmann, S.; Auerbach, D. J.; Kandratsenka, A.; Wodtke, A. M.: First principles rates for surface chemistry employing exact transition state theory: application to recombinative desorption of hydrogen from Cu(111). Physical Chemistry Chemical Physics 22 (31), pp. 17532 - 17539 (2020)

Kumar, S.; Jiang, H.; Schwarzer, M.; Kandratsenka, A.; Schwarzer, D.; Wodtke, A. M.: Vibrational relaxation lifetime of a physisorbed molecule at a metal surface. Physical Review Letters 123 (15), 156101 (2019)

Jiang, H.; Kammler, M.; Ding, F.; Dorenkamp, Y.; Manby, F. R.; Wodtke, A. M.; Miller, T. F.; Kandratsenka, A.; Bünermann, O.: Imaging covalent bond formation by H atom scattering from graphene. Science 364 (6438), pp. 379 - 382 (2019)