Bonding, charge rearrangement and interface dipoles of benzene, graphene, and PAH molecules on Au(111) and Cu(111) von Medeiros, Paulo V.C., Gueorguiev, G.K., Stafström, S.

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Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding von Medeiros, Paulo V. C., Stafström, Sven, Björk, Jonas

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Unfolding spinor wave functions and expectation values of general operators: Introducing the unfolding-density operator von Medeiros, Paulo V. C., Tsirkin, Stepan S., Stafström, Sven, Björk, Jonas

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Electronic Structure Control of Sub-nanometer 1D SnTe via Nanostructuring within Single-Walled Carbon Nanotubes von Vasylenko, Andrij, Marks, Samuel, Wynn, Jamie M, Medeiros, Paulo V. C, Ramasse, Quentin M, Morris, Andrew J, Sloan, Jeremy, Quigley, David

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Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated Inside Ultranarrow, Single-Walled Carbon Nanotubes von Medeiros, Paulo V. C, Marks, Samuel, Wynn, Jamie M, Vasylenko, Andrij, Ramasse, Quentin M, Quigley, David, Sloan, Jeremy, Morris, Andrew J

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Linear and Helical Cesium Iodide Atomic Chains in Ultranarrow Single-Walled Carbon Nanotubes: Impact on Optical Properties von Kashtiban, Reza J, Burdanova, Maria G, Vasylenko, Andrij, Wynn, Jamie, Medeiros, Paulo V. C, Ramasse, Quentin, Morris, Andrew J, Quigley, David, Lloyd-Hughes, James, Sloan, Jeremy

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Benzene, coronene, and circumcoronene adsorbed on gold, and a gold cluster adsorbed on graphene: Structural and electronic properties von Medeiros, Paulo V. C., Gueorguiev, G. K., Stafström, S.

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Adsorption of monovalent metal atoms on graphene: a theoretical approach von Medeiros, Paulo V C, de Brito Mota, F, Mascarenhas, Artur J S, de Castilho, Caio M C

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Optical and Magnetic Excitations of Metal-Encapsulating Si Cages: A Systematic Study by Time-Dependent Density Functional Theory von Oliveira, Micael J. T, Medeiros, Paulo V. C, Sousa, José R. F, Nogueira, Fernando, Gueorguiev, Gueorgui K

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Phase diagram of germanium telluride encapsulated in carbon nanotubes from first-principles searches von Wynn, Jamie M., Medeiros, Paulo V. C., Vasylenko, Andrij, Sloan, Jeremy, Quigley, David, Morris, Andrew J.

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Encapsulated nanowires: Boosting electronic transport in carbon nanotubes von Vasylenko, Andrij, Wynn, Jamie, Medeiros, Paulo V. C., Morris, Andrew J., Sloan, Jeremy, Quigley, David

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A critical assessment on the electron transport through dehydrogenated intrinsically conducting channels in graphane-graphene hybrids von de Brito Mota, Fernando, Rivelino, Roberto, Medeiros, Paulo V C, de Castilho, Caio M C

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A DFT study of halogen atoms adsorbed on graphene layers von Medeiros, Paulo V C, Mascarenhas, Artur J S, de Brito Mota, F, de Castilho, Caio M C

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Hybrid platforms of graphane-graphene 2D structures: prototypes for atomically precise nanoelectronics von de Mota, F, Rivelino, R, Medeiros, P. V. C, Mascarenhas, A. J. S, de Castilho, C. M. C

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