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Journal of Computational Chemistry|December 16, 2024
CoTCNQ as a Catalyst for CO2 Electroreduction: A First Principles r2SCAN Meta-GGA InvestigationOliver J Conquest, Yijiao Jiang, Catherine StampflAnalytical Chemistry|July 15, 2021
Modeling and Experimental Study of the Electron Transfer Kinetics for Non-ideal Electrodes Using Variable-Frequency Square Wave VoltammetryAleksei N Marianov, Alena S Kochubei, Tanglaw Roman, et al.ACS Applied Materials & Interfaces|February 12, 2025
Minimizing Catalyst Loading for Efficient Electrolysis of Carbon Capture Solution to COYuming Wu, Xiaohu Chen, Noushin Nasiri, et al.Nanomaterials (Basel, Switzerland)|October 25, 2024
Electronic and Optical Properties of 2D Heterostructure Bilayers of Graphene, Borophene and 2D Boron Carbides from First PrinciplesLu Niu, Oliver J Conquest, Carla Verdi, et al.Journal of Chemical Theory and Computation|December 3, 2021
Calculating Entropies of Large Molecules in Aqueous PhaseOliver J Conquest, Tanglaw Roman, Aleksei Marianov, et al.RSC Advances|December 15, 2025
Insight into the electronic, optical, and thermoelectric properties of novel ternary chalcohalides: next-generation energy applicationsMuhammad Salman Khan, Ayed M Binzowaimil, Catherine Stampfl, et al.Nature Communications|December 16, 2016
Brønsted acid sites based on penta-coordinated aluminum speciesZichun Wang, Yijiao Jiang, Olivier Lafon, et al.Scientific Reports|January 16, 2020
Dirac half-metallicity of Thin PdCl3 Nanosheets: Investigation of the Effects of External Fields, Surface Adsorption and Defect Engineering on the Electronic and Magnetic PropertiesAsadollah Bafekry, Catherine Stampfl, Francois M PeetersJournal of Physics. Condensed Matter : an Institute of Physics Journal|May 30, 2012
Vacancies in GaN bulk and nanowires: effect of self-interaction correctionsDamien J Carter, Martin Fuchs, Catherine StampflPhysical Review Letters|July 15, 2003
Why is a noble metal catalytically active? The role of the O-Ag interaction in the function of silver as an oxidation catalystWei-Xue Li, Catherine Stampfl, Matthias SchefflerPageof 11