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Desalegn Nigatu Gemechu on Muck Rack

Desalegn Nigatu Gemechu

As seen in: Wiley Online Library
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Articles

Theoretical Investigation of the Substituent Effect on First and Second Reduction Potential of Benzoquinone Derivatives: From a DFT Perspective for Redox Flow Battery Application

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By Getahun Bayou Yimam, Desalegn Nigatu Gemechu, Mesfin Diro Chaka
| Wiley Online Library Verified
Data Availability Statement The data that support the findings of this study are available from the corresponding author upon reasonable request. Supporting Information Filename Description poc70085-sup-0001-Suplementary_Material.docxWord 2007 document , 869.4 KB Figure S1: Thermodynamic cycle used to calculate solvation Gibbs free energy. Table S1: Solvation free energy in (kcal/mol). Figure S2: SOMO–HOMO and spin density plot for BQ− and its derivatives.
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Electrocatalytic Properties and DFT Studies of Pd-Based Catalysts Supported on Ceria/Onion-like Carbon for Isopropanol Oxidation in Alkaline Medium

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By Desalegn Nigatu Gemechu, Aderemi B. Haruna, Ahmed Mohammed, Yedilfana Setarge Mekonnen
| dx.doi.org
Special Issue Published as part of The Journal of Physical Chemistry C special issue “Jacek Lipkowski Festschrift”. Introduction Click to copy section linkSection link copied! The increasing global demand for energy coupled with urgent environmental concerns presents significant challenges to our reliance on traditional fossil fuels. Shifting from current energy infrastructure to renewable, climate-neutral alternatives is essential for mitigating climate change.
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Evaluating the Dehydrogenation Performance of Cyclohexane on Pt-Skin AgPt3(111) and Ag3Pt(111) Surface Slabs: A Density Functional Theory Approach

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By Kingsley Onyebuchi Obodo, Ahmed Mohammed, Yedilfana Setarge Mekonnen, Desalegn Nigatu Gemechu
| dx.doi.org
Special Issue Published as part of The Journal of Physical Chemistry C special issue “Computational Sciences from Africa and the African Diaspora”. 1. Introduction Click to copy section linkSection link copied! Hydrogen serves as an environmentally friendly energy carrier that has widespread applications in energy storage, chemical synthesis, and various industries. (1−3) For hydrogen energy systems to be deployed in real-world applications, the hydrogen storage problem must be resolved.
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