Search Results - "Lenchuk, Olena"

Graphite as Cointercalation Electrode for Sodium‐Ion Batteries: Electrode Dynamics and the Missing Solid Electrolyte Interphase (SEI) by Goktas, Mustafa, Bolli, Christoph, Berg, Erik J., Novák, Petr, Pollok, Kilian, Langenhorst, Falko, Roeder, Maximilian v., Lenchuk, Olena, Mollenhauer, Doreen, Adelhelm, Philipp

“…The intercalation of solvated sodium ions into graphite from ether electrolytes was recently discovered to be a surprisingly reversible process. The mechanisms…”
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White‐Light Generation Upon In‐Situ Amorphization of Single Crystals of [{(Me3P)3AuSn}(PhSn)3S6] and [{(Et3P)3AgSn}(PhSn)3S6] by Dornsiepen, Eike, Dobener, Florian, Mengel, Nils, Lenchuk, Olena, Dues, Christof, Sanna, Simone, Mollenhauer, Doreen, Chatterjee, Sangam, Dehnen, Stefanie

“…In order to gain more information on the white‐light generation by amorphous molecular materials, the influence of metal complex substituents on the…”
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Comparative study of density functionals for the description of lithium‐graphite intercalation compounds by Lenchuk, Olena, Adelhelm, Philipp, Mollenhauer, Doreen

“…The lack of description of van der Waals interactions in layered materials such as graphite and binary graphite intercalation compounds remains a main drawback…”
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Mo–Si Alloys Studied by Atomistic Computer Simulations Using a Novel Machine‐Learning Interatomic Potential: Thermodynamics and Interface Phenomena by Lenchuk, Olena, Rohrer, Jochen, Albe, Karsten

“…A machine‐learning interatomic potential for Mo–Si alloys based on the atomic cluster expansion formalism is presented, its performance is validated, and it is…”
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Cohesive strength of zirconia/molybdenum interfaces and grain boundaries in molybdenum: A comparative study by Lenchuk, Olena, Rohrer, Jochen, Albe, Karsten

“…We present calculations within density functional theory on the thermodynamic stability and mechanical properties of t-ZrO2(001)/Mo(001) interfaces. The…”
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Atomistic modelling of zirconium and silicon segregation at twist and tilt grain boundaries in molybdenum by Lenchuk, Olena, Rohrer, Jochen, Albe, Karsten

“…We investigate the influence of Zr and Si segregation on the cohesive strength of grain boundaries (GBs) in molybdenum using density functional theory…”
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