Abhishek Khetan

发表

Theoretical characterization of structural disorder in the tetramer model structure of eumelanin

V. Viswanathan, V. Pande, A. Khetan, 2019, Physical Review Materials.

Mechanistic Understanding of Cu-CHA Catalyst as Sensor for Direct NH3-SCR Monitoring: The Role of Cu Mobility.

H. Pitsch, R. Moos, U. Simon, 2019, ACS applied materials & interfaces.

Local dynamics of copper active sites in zeolite catalysts for selective catalytic reduction of NOx with NH3

H. Pitsch, R. Palkovits, M. Muhler, 2018, Applied Catalysis B: Environmental.

Role of Disorder in NaO2 and Its Implications for Na–O2 Batteries

V. Viswanathan, V. Pande, O. Sapunkov, 2017, The Journal of Physical Chemistry C.

Evidence of Porphyrin‐Like Structures in Natural Melanin Pigments Using Electrochemical Fingerprinting

Young Jo Kim, J. Whitacre, V. Viswanathan, 2016, Advanced materials.

Data-driven discovery of small electroactive molecules for energy storage in aqueous redox flow batteries

Andrea Loss, S. Er, A. Khetan, 2021, Energy Storage Materials.

RedDB, a computational database of electroactive molecules for aqueous redox flow batteries

Murat Cihan Sorkun, S. Er, A. Khetan, 2021, Scientific Data.

A quantitative evaluation of computational methods to accelerate the study of alloxazine-derived electroactive compounds for energy storage

S. Er, A. Khetan, Qi Zhang, 2020, Scientific Reports.

Comparison of computational chemistry methods for the discovery of quinone-based electroactive compounds for energy storage

S. Er, A. Khetan, Qi Zhang, 2020, Scientific Reports.

AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds

Murat Cihan Sorkun, S. Er, A. Khetan, 2019, Scientific Data.

Deactivation reactions on a commercial lean nox-trap - Effect of hydrocarbon nature, concentration and operation temperature

A. Schwedt, H. Pitsch, R. Palkovits, 2019, Applied Catalysis A: General.

Trade-Offs in Capacity and Rechargeability in Nonaqueous Li-O2 Batteries: Solution-Driven Growth versus Nucleophilic Stability.

V. Viswanathan, A. Luntz, A. Khetan, 2015, The journal of physical chemistry letters.

Enhancing electrochemical intermediate solvation through electrolyte anion selection to increase nonaqueous Li–O2 battery capacity

Colin M. Burke, B. McCloskey, V. Viswanathan, 2015, Proceedings of the National Academy of Sciences.

AqSolDB, a curated reference set of aqueous solubility and 2D descriptors for a diverse set of compounds

Murat Cihan Sorkun, S. Er, M. Sorkun, 2019, Scientific Data.

First Principles Study of Morphology, Doping Level, and Water Solvation Effects on the Catalytic Mechanism of Nitrogen‐Doped Graphene in the Oxygen Reduction Reaction

H. Pitsch, S. Noh, Byungchan Han, 2014 .

High-Throughput Virtual Screening of Quinones for Aqueous Redox Flow Batteries: Status and Perspectives

A. Khetan, Abhishek Khetan, 2022, Batteries.

Towards Synergistic Electrode–Electrolyte Design Principles for Nonaqueous Li–O$$_2$$2 batteries

V. Viswanathan, A. Khetan, Dilip Krishnamurthy, 2018, Topics in current chemistry.

Identifying Descriptors for Solvent Stability in Nonaqueous Li-O2 Batteries.

H. Pitsch, V. Viswanathan, A. Khetan, 2014, The journal of physical chemistry letters.

Modeling Electrochemical Energy Storage at the Atomic Scale

A. Gross, L. Pratt, M. Korth, 2018 .

AIMS AND SCOPE

W. Wong, A. Khetan, Dilip Krishnamurthy, 2008, Evolutionary Ecology.

Cheeger inequalities for graph limits

A. Khetan, Mahan Mj, Abhishek Khetan, 2018, Annales de l'Institut Fourier.

Solvent Degradation in Nonaqueous Li-O2 Batteries: Oxidative Stability versus H-Abstraction.

Heinz Pitsch, Venkatasubramanian Viswanathan, Abhishek Khetan, 2014, The journal of physical chemistry letters.

Quantifying the promise of ‘beyond’ Li–ion batteries

Venkatasubramanian Viswanathan, Oleg Sapunkov, Vikram Pande, 2015 .

Electrochemical and Electronic Charge Transport Properties of Ni-Doped LiMn2O4 Spinel Obtained from Polyol-Mediated Synthesis

H. Pitsch, R. Eichel, H. Kungl, 2018, Materials.

First-principles thermodynamic study of the electrochemical stability of Pt nanoparticles in fuel cell applications

Joon Kyo Seo, Byungchan Han, Abhishek Khetan, 2013 .

Evaluation of Computational Chemistry Methods for Predicting Redox Potentials of Quinone-Based Cathodes for Li-Ion Batteries

Xuan Zhou, S. Er, Abhishek Khetan, 2021, Batteries.

Experimental and Theoretical Understanding of Nitrogen-Doping-Induced Strong Metal–Support Interactions in Pd/TiO2 Catalysts for Nitrobenzene Hydrogenation

H. Pitsch, J. Mayer, Wei Xia, 2017 .

Activity Descriptor for Catalytic Reactions on Doped Cerium Oxide

H. Pitsch, A. Khetan, M. Aryanpour, 2013 .

Revealing the Formation and Reactivity of Cage-Confined Cu Pairs in Catalytic NOx Reduction over Cu-SSZ-13 Zeolites by In Situ UV-Vis Spectroscopy and Time-Dependent DFT Calculation.

Jia-yue Yang, U. Simon, D. Ye, 2023, Environmental science & technology.

Copper Site Motion Promotes Catalytic NOx Reduction under Zeolite Confinement.

Jia-yue Yang, R. Palkovits, Peirong Chen, 2023, Environmental science & technology.

Understanding Ion Pairing in High-Salt Concentration Electrolytes Using Classical Molecular Dynamics Simulations and Its Implications for Nonaqueous Li–O2 Batteries

H. Pitsch, V. Viswanathan, V. Pande, 2018, 1801.09130.

Elucidation and Comparison of the Effect of LiTFSI and LiNO3 Salts on Discharge Chemistry in Nonaqueous Li-O2 Batteries.

D. Sauer, H. Pitsch, Shuo Yang, 2017, ACS applied materials & interfaces.

Evidence of Porphyrin‐Like Structures in Natural Melanin Pigments Using Electrochemical Fingerprinting

Young Jo Kim, J. Whitacre, V. Viswanathan, 2016, Advanced materials.