Li and Na Adsorption on Graphene and Graphene Oxide Examined by Density Functional Theory, Quantum Theory of Atoms in Molecules, and Electron Localization Function von Dimakis, Nicholas, Salas, Isaiah, Gonzalez, Luis, Vadodaria, Om, Ruiz, Korinna, Bhatti, Muhammad I

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Elucidating the Ionomer-Electrified Metal Interface von Kendrick, Ian, Kumari, Dunesh, Yakaboski, Adam, Dimakis, Nicholas, Smotkin, Eugene S

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Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfaces von Gupta, Sanju, Pimenidou, Panagiota, Garcia, Miguel, Das, Shivanshi, Dimakis, Nicholas

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Structural Evolution and Magnetic Properties of Gd2Hf2O7 Nanocrystals: Computational and Experimental Investigations von Pokhrel, Madhab, Dimakis, Nicholas, Dannangoda, Chamath, Gupta, Santosh K., Martirosyan, Karen S., Mao, Yuanbing

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Operando Raman Micro-Spectroscopy of Polymer Electrolyte Fuel Cells von Kendrick, Ian, Fore, Jennifer, Doan, Jonathan, Loupe, Neili, Vong, Andy, Dimakis, Nicholas, Diem, Max, Smotkin, Eugene S.

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Density functional theory calculations on alkali and the alkaline Ca atoms adsorbed on graphene monolayers von Dimakis, Nicholas, Valdez, Danielle, Flor, Fernando Antonio, Salgado, Andres, Adjibi, Kolade, Vargas, Sarah, Saenz, Justin

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Employing a Fractional Basis Set to Solve Nonlinear Multidimensional Fractional Differential Equations von Rahman, Md. Habibur, Bhatti, Muhammad I., Dimakis, Nicholas

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Mechanically Coupled Internal Coordinates of Ionomer Vibrational Modes von Webber, Matthew, Dimakis, Nicholas, Kumari, Dunesh, Fuccillo, Michael, Smotkin, Eugene S

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Dataset for electronic and optical properties of Y2O2S and Er dopped Y2O2S calculated using density functional theory and simulated x-ray near edge spectra von Dimakis, Nicholas, Rodriguez, Eric Baldemar, Ackaah-Gyasi, Kofi Nketia, Pokhrel, Madhab

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Computational data of molybdenum disulfide/graphene bilayer heterojunction under strain von Dimakis, Nicholas, Gupta, Sanju, Wadud, Razeen, Bhatti, Muhammad I.

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Computational and experimental data for undoped and Er-doped lithium tantalate nanofluorescent probes von Hobosyan, Mkhitar A., Carvajal, Andrea Pelayo, Srivastava, Bhupendra B., Zakia, Tamanna, Uddin, Mohammed Jasim, Martirosyan, Karen S., Rodriguez, Eric, Ackaah-Gyasi, Kofi Nketia, Dimakis, Nicholas

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Theoretical and experimental infrared spectra of hydrated and dehydrated Nafion von Kendrick, Ian, Yakaboski, Adam, Kingston, Erin, Doan, Jonathan, Dimakis, Nicholas, Smotkin, Eugene S.

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Approximate Solutions of Nonlinear Partial Differential Equations Using B-Polynomial Bases von Bhatti, Muhammad I., Rahman, Md. Habibur, Dimakis, Nicholas

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Ab Initio Self-Consistent X-Ray Absorption Fine Structure Analysis for Metalloproteins von Dimakis, Nicholas, Bunker, Grant

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Thermal Processing as a Means to Prepare Durable, Submicron Thickness Ionomer Films for Study by Transmission Infrared Spectroscopy von Byun, Chang Kyu, Parker, Tifani, Liang, Chunchao, Kendrick, Ian, Dimakis, Nicholas, Smotkin, Eugene S, Jin, Li-Mei, Zhuang, Dongqing, DesMarteau, Darryl D, Creager, Stephen E, Korzeniewski, Carol

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Elucidating the effects of oxygen- and nitrogen-containing functional groups in graphene nanomaterials for applied electrochemistry by density functional theory von Gupta, Sanju, Dimakis, Nicholas

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Zinc cysteine active sites of metalloproteins: A density functional theory and x-ray absorption fine structure study von Dimakis, Nicholas, Farooqi, Mohammed Junaid, Garza, Emily Sofia, Bunker, Grant

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Computational predictions of electronic properties of graphene with defects, adsorbed transition metal-oxides and water using density functional theory von Gupta, Sanju, Dimakis, Nicholas

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First-principles calculations integrated with experimental optical and electronic properties for MoS2-graphene heterostructures and MoS2-graphene-Au heterointerfaces von Gupta, Sanju, Pimenidou, Panagiota, Garcia, Miguel, Das, Shivanshi, Dimakis, Nicholas

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Molybdenum disulfide monolayer electronic structure information as explored using density functional theory and quantum theory of atoms in molecules von Dimakis, Nicholas, Vadodaria, Om, Ruiz, Korinna, Gupta, Sanju

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