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correlation to the electrochemical performance of the active electrode materials synthesized by the Center. Examples of the samples could be metal oxides with carbon positioned between the layers, and metal
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materials and associated heterostructures, such as those based on 2D transition-metal dichalcogenides (TMDCs), and perform nanofabrication and electrical characterization of 2D heterostructure devices using
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materials and their unique physical phenomena, such as metal-insulator transitions, charge-spin-lattice correlations, and the critical role of defects and interfaces. Utilizing state-of-the-art electron
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or heterogeneous catalysis of small molecule activation. Density functional theory applications to transition-metal containing molecular complexes. Hybrid quantum mechanics/molecular mechanics (QM/MM) methods