TCM
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Paulo V C Medeiros

Dr Medeiros

Paulo V C Medeiros

Postdoctoral Research Associate in Dr  Andrew Morris' group

Office: 538 Mott Bld
Phone: +44(0)1223 3 37216
Email: pvm20 @ cam.ac.uk

TCM Group, Cavendish Laboratory
19 JJ Thomson Avenue,
Cambridge, CB3 0HE UK.

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Researcher-ID: A-6411-2010

ORCID: 0000-0002-7803-9058

Publications

  • Single-Atom Scale Structural Selectivity in Te Nanowires Encapsulated Inside Ultranarrow, Single-Walled Carbon Nanotubes
        Paulo V. C. Medeiros, Samuel Marks, Jamie M. Wynn, Andrij Vasylenko, Quentin M. Ramasse, David Quigley, Jeremy Sloan and Andrew J. Morris
        ACS Nano (2017) DOI: 10.1021/acsnano.7b02225
        Highlighted as Research News in the official website of the University of Cambridge

  • Encapsulated nanowires: Boosting electronic transport in carbon nanotubes
        Andrij Vasylenko, Jamie Wynn, Paulo V. C. Medeiros, Andrew J. Morris, Jeremy Sloan and David Quigley
        Physical Review B (Rapid Communications) 95, 121408 (2016)

  • Unfolding spinor wavefunctions and expectation values of general operators: Introducing the unfolding-density operator
        Paulo V. C. Medeiros, Stepan S. Tsirkin, Sven Stafström and Jonas Björk
        Physical Review B (Rapid Communications) 91, 041116 (2015)
        > Makes use of my free and open-source band unfolding code BandUP.

  • Bonding, charge rearrangement and interface dipoles of benzene, graphene, and PAH molecules on Au(111) and Cu(111)
        Paulo V. C. Medeiros, G. K. Gueorguiev and S. Stafström
        Carbon 81, 620 (2015)

  • Hybrid Platforms of Graphane/Graphene 2D Structures: Prototypes for Atomically Precise Nanoelectronics
        Fernando de B. Mota, Roberto Rivelino, Paulo V. C. Medeiros, Artur J. S. Mascarenhas and Caio M. C. de Castilho
        Physical Chemistry Chemical Physics (Communication) 16, 23558 (2014)

  • Optical and Magnetic Excitations of Metal-Encapsulating Si Cages:
        A Systematic Study by Time-Dependent Density Functional Theory
        Micael J. T. Oliveira, Paulo V. C. Medeiros, José R. F. Sousa, Fernando Nogueira, Gueorgui K. Gueorguiev
        The Journal of Physical Chemistry C 118, 11377 (2014)

  • Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene:
        Retaining an effective primitive cell bandstructure by band unfolding
        Paulo V. C. Medeiros, Sven Stafström and Jonas Björk
        Physical Review B (Rapid Communications) 89, 041407 (2014)
        > Makes use of my free and open-source band unfolding code BandUP.

  • Benzene, coronene, and circumcoronene adsorbed on gold, and a gold cluster adsorbed on graphene:
        Structural and electronic properties
        Paulo V. C. Medeiros, G. Gueorguiev and S. Stafström.
        Physical Review B 85, 205423 (2012)

  • Bonding character of lithium atoms adsorbed on a graphene layer
        Paulo V. C. Medeiros, Fernando de B. Mota, Artur J. S. Mascarenhas and Caio M. C. de Castilho
        Solid State Communications 151, 529 (2011)

  • A DFT study of halogen atoms adsorbed on graphene layers
        Paulo V. C. Medeiros, Artur J. S. Mascarenhas, Fernando de B. Mota and Caio M. C. de Castilho
        Nanotechnology 21, 485701 (2010)

  • Adsorption of monovalent metal atoms on graphene: a theoretical approach
        Paulo V. C. Medeiros, Fernando de B. Mota, Artur J. S. Mascarenhas and Caio M. C. de Castilho
        Nanotechnology 21, 115701 (2010)

    Code development

    I am the author of BandUP, a free and open-source band unfolding code for plane wave based calculations. BandUP works as a post-processing tool for calculations performed using VASP, Quantum ESPRESSO, ABINIT and CASTEP, and it can be adapted to work with other plane wave codes. Feel free to contact me to ask for more information, report issues, or if you want to collaborate. I'll will try my best to help you out in case you have any problems using the code. Also, feel free to get in touch when you publish something using the code, so I can include your paper/preprint in the list of publications using BandUP.