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Abhishek Khetan
Abhishek Khetan
Dirección de correo verificada de modes.rwth-aachen.de
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Enhancing electrochemical intermediate solvation through electrolyte anion selection to increase nonaqueous Li–O2 battery capacity
CM Burke, V Pande, A Khetan, V Viswanathan, BD McCloskey
Proceedings of the National Academy of Sciences 112 (30), 9293-9298, 2015
3432015
Trade-Offs in Capacity and Rechargeability in Nonaqueous Li–O2 Batteries: Solution-Driven Growth versus Nucleophilic Stability
A Khetan, A Luntz, V Viswanathan
The journal of physical chemistry letters 6 (7), 1254-1259, 2015
1592015
Experimental and Theoretical Understanding of Nitrogen-Doping-Induced Strong Metal–Support Interactions in Pd/TiO2 Catalysts for Nitrobenzene Hydrogenation
P Chen, A Khetan, F Yang, V Migunov, P Weide, SP Stürmer, P Guo, ...
Acs Catalysis 7 (2), 1197-1206, 2017
1452017
AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds
MC Sorkun, A Khetan, S Er
Scientific Data 6 (143), 2019
1262019
Evidence of Porphyrin-Like Structures in Natural Melanin Pigments Using Electrochemical Fingerprinting.
YJ Kim, A Khetan, W Wu, SE Chun, V Viswanathan, JF Whitacre, ...
Advanced Materials (Deerfield Beach, Fla.) 28 (16), 3173-3180, 2016
982016
Solvent Degradation in Nonaqueous Li-O2 Batteries: Oxidative Stability versus H-Abstraction
A Khetan, H Pitsch, V Viswanathan
The journal of physical chemistry letters 5 (14), 2419-2424, 2014
952014
Quantifying the promise of ‘beyond’Li–ion batteries
O Sapunkov, V Pande, A Khetan, C Choomwattana, V Viswanathan
Translational Materials Research 2 (4), 045002, 2015
602015
Identifying Descriptors for Solvent Stability in Nonaqueous Li–O2 Batteries
A Khetan, H Pitsch, V Viswanathan
The Journal of Physical Chemistry Letters 5 (8), 1318-1323, 2014
542014
Local dynamics of copper active sites in zeolite catalysts for selective catalytic reduction of NOx with NH3
P Chen, A Khetan, M Jabłońska, J Simböck, M Muhler, R Palkovits, ...
Applied Catalysis B: Environmental 237, 263-272, 2018
472018
First-principles thermodynamic study of the electrochemical stability of Pt nanoparticles in fuel cell applications
JK Seo, A Khetan, MH Seo, H Kim, B Han
Journal of power sources 238, 137-143, 2013
452013
First principles study of morphology, doping level, and water solvation effects on the catalytic mechanism of nitrogen‐doped graphene in the oxygen reduction reaction
D Kwak, A Khetan, S Noh, H Pitsch, B Han
ChemCatChem 6 (9), 2662-2670, 2014
442014
Activity descriptor for catalytic reactions on doped cerium oxide
M Aryanpour, A Khetan, H Pitsch
ACS Catalysis 3 (6), 1253-1262, 2013
442013
Spatially resolved inline measurement of liquid velocity in trickle bed reactors
M Schubert, A Khetan, MJ Da Silva, H Kryk
Chemical Engineering Journal 158 (3), 623-632, 2010
412010
Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage
Q Zhang, A Khetan, S Er
Scientific Reports 10 (1), 22149, 2020
362020
Mechanistic Understanding of Cu-CHA Catalyst as Sensor for Direct NH3-SCR Monitoring: The Role of Cu Mobility
P Chen, V Rizzotto, A Khetan, K Xie, R Moos, H Pitsch, D Ye, U Simon
ACS applied materials & interfaces 11 (8), 8097-8105, 2019
342019
Electrochemical and Electronic Charge Transport Properties of Ni-Doped LiMn2O4 Spinel Obtained from Polyol-Mediated Synthesis
S Yang, DO Schmidt, A Khetan, F Schrader, S Jakobi, M Homberger, ...
Materials 11 (5), 806, 2018
292018
Elucidation and Comparison of the Effect of LiTFSI and LiNO3 Salts on Discharge Chemistry in Nonaqueous Li–O2 Batteries
M Iliksu, A Khetan, S Yang, U Simon, H Pitsch, DU Sauer
ACS applied materials & interfaces 9 (22), 19319-19325, 2017
272017
Data-driven discovery of small electroactive molecules for energy storage in aqueous redox flow batteries
Q Zhang, A Khetan, E Sorkun, F Niu, A Loss, I Pucher, S Er
Energy Storage Materials 47, 167-177, 2022
222022
Understanding ion pairing in high-salt concentration electrolytes using classical molecular dynamics simulations and its implications for nonaqueous Li–O2 batteries
A Khetan, HR Arjmandi, V Pande, H Pitsch, V Viswanathan
The Journal of Physical Chemistry C 122 (15), 8094-8101, 2018
222018
RedDB, a computational database of electroactive molecules for aqueous redox flow batteries
E Sorkun, Q Zhang, A Khetan, MC Sorkun, S Er
Scientific Data 9 (1), 718, 2022
172022
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