Publications

2024

• A comprehensive study on the multi-band emission of zinc sulfide grown by aerosol-assisted chemical vapour deposition, Lewis J. Adams, Juliana M. Morbec, Geetha Sharma, Edward Black, Steven Wey, Peter D. Matthews, Nilanthy Balakrishnan, submitted (2024).

• Substrate-induced strain in molybdenum disulfide grown by aerosol-assisted chemical vapor deposition, Lewis Adams, Peter Matthews, Juliana Morbec and Nilanthy Balakrishnan, Nanotechnology 35, 395602 (2024).

• Effect of molecular rotation and concentration on the adsorption of pentacene molecules on two-dimensional monolayer transition metal dichalcogenides, E. Black and J. M. Morbec, Electron. Struct. 6, 025008 (2024). arXiv:2312.13025

2023

• Interaction between pentacene molecules and monolayer transition metal dichalcogenides, E. Black, P. Kratzer and J. M. Morbec. Phys. Chem. Chem. Phys. 25, 29444 (2023). arxiv.org/abs/2304.08619 – paper featured on the back cover

• A comprehensive study on the processing of Co:ZnO nanostructured ceramics: defect chemistry engineering and grain growth kinetics, R. T. da Silva, J. M. Morbec, G. Rahman, and H. B. de Carvalho. J. Mater. Sci. Technol. 138, 221 (2023). arXiv:2203.02344

2021

• Defect induced room temperature ferromagnetism in high quality Co-doped ZnO bulk samples, M. P. F. de Godoy, X. Gratens, V. A. Chitta, A. Mesquita, M. M. de Lima Jr., A. Cantarero, G. Rahman, J. M Morbec and H. B. Carvalho. J. Alloys Compd. 859, 157772 (2021). arxiv.org/abs/2007.14140

2020

• Chemisorption and physisorption at the metal-organic interface: bond energies of naphthalene and azulene on coinage metal surfaces, Stefan Kachel, Benedikt Klein, Juliana M. Morbec, Maik Schöniger, Mark Hutter, Martin Schmid, Peter Kratzer, Bernd Meyer, Ralf Tonner, and J. Michael Gottfried. J. Phys. Chem. C 124, 8257 (2020).

• Molybdenum disulphide nanoflakes grown by chemical vapour deposition on graphite: nucleation, orientation, and charge transfer, Erik Pollmann, Juliana M. Morbec, Lukas Madauß, Lara Bröckers, Peter Kratzer, and Marika Schleberger. J. Phys. Chem. C 124, 2689 (2020). arxiv.org/abs/1910.06686
  Correction: doi.org/10.1021/acs.jpcc.0c01297

2019

• The molecule-metal bond of alternant versus nonalternant aromatic systems on coinage metal surfaces: naphthalene versus azulene on Ag(111) and Cu(111), Benedikt Klein, Juliana M. Morbec, Markus Franke, Katharina Greulich, Matle Sachs, Shayan Parhizkar, François Bocquet, Martin Schmid, Samuel Hall, Reinhard Maurer, Bernd Meyer, Ralf Tonner, Christian Kumpf, Peter Kratzer, and J. Michael Gottfried. J. Phys. Chem. C 123, 29219 (2019).

• Surface structural phase transition induced by the formation of metal-organic networks on Si(111)-√7×√3-In surface, T. Suzuki, J. Lawrence, J. M. Morbec, P. Kratzer, and G. Costantini. Nanoscale 11, 21790 (2019).

2018

• Commensurate versus incommensurate heterostructures of group-III  monochalcogenides, Altaf Ur Rahman, Juliana M. Morbec, Gul Rahman and Peter Kratzer. Phys. Rev. Materials 2, 094002 (2018).

• Experimental and computational investigation of Lanthanide ion doping on BiVO4 photoanodes for solar water splitting, Gokul V. Govindaraju*, Juliana M. Morbec*, Giulia Galli, and Kyoung-Shin Choi. J. Phys. Chem. C 122, 19416 (2018). (*co-first authorship)

• Multifunctional nanostructured Co-doped ZnO: the Co spatial distribution and the correlated magnetic properties, Rafael T. da Silva, Alexandre Mesquita, Angela O. de Zevallos, Thalita Chiaramonte, Xavier Gratens, Valmir A. Chitta, Juliana M. Morbec, Gul Rahman, Victor M. García-Suárez, Antonio C. Doriguetto, Maria I. B. Bernardi,  and Hugo B. de Carvalho. Phys. Chem. Chem. Phys. 20, 20257 (2018).

• Single-atom vacancy in monolayer phosphorene: a comprehensive study of stability and magnetism under applied strain, Juliana M. Morbec, Gul Rahman and Peter Kratzer. J. Mag. Mag. Mat. 465, 546 (2018).

2017

• Indium coverage of the Si(111)-√7×√3-In surface, T. Suzuki, J. Lawrence, M. Walker, J. M. Morbec, P. Blowey, K. Yagyu, P. Kratzer, and G. Costantini. Phys. Rev. B 96, 035412 (2017). - One of the figures of this paper was selected for the “Kaleidoscope” of the Physical Review B.

• Mechanical and electronic properties of SiC nanowires: an ab initio study, J. B. Oliveira, J. M. Morbec, and R. H. Miwa. J. Appl. Phys. 121, 104302 (2017).

• Natural polyprenylated benzophenone: keto-enol tautomerism from density functional calculations and the AIM theory, Mateus R. Lage, Juliana M. Morbec, Marcelo H. Santos, Jose Walkimar de M. Carneiro, and Luciano T. Costa. J. Mol. Model. 23, 140  (2017).

• The role of the van der Waals interactions in the adsorption of anthracene and pentacene on the Ag(111) surface, Juliana M. Morbec and Peter Kratzer. J. Chem. Phys. 146, 034702 (2017). Paper selected as a 2017 JCP Editors’ Choice article.

2016

• Charge transport properties of bulk Ta3N5 from first principles, Juliana M. Morbec and Giulia Galli. Phys. Rev. B 93, 035201 (2016).

• Distortion induced magnetic phase transition in cubic BaFeO3, Gul Rahman, Juliana M. Morbec, Rubén Ferradás, Víctor M. García-Suárez, and Niall J. English. J. Mag. Mag. Mat. 401, 1097 (2016).

2014

• Optoelectronic properties of Ta3N5: a joint theoretical and experimental study, Juliana M. Morbec, Ieva Narkeviciute, Thomas F. Jaramillo, and Giulia Galli. Phys. Rev. B 90, 155204 (2014).

2013

• Role of vacancies in the magnetic and electronic properties of SiC nanoribbons: an ab initio study, Juliana M. Morbec and Gul Rahman. Phys. Rev. B 87, 115428 (2013).

• Intrinsic magnetism in nanosheets of SnO2: a first-principles study, Gul Rahman, Víctor M. García-Suárez, and Juliana M. Morbec. J. Mag. Mag. Mat. 328, 104-108 (2013).

Before 2013

• Boron and nitrogen impurities in SiC nanoribbons: an ab initio investigation, Claudemir D. Costa and Juliana M. Morbec. J. Phys.: Condens. Matter 23, 205504 (2011).

• Theoretical study of carbon clusters in silicon carbide nanowires, Juliana M. Morbec and Roberto H. Miwa. Journal of Nanotechnology, vol. 2011, Article ID 203423 (2011).

• Exact and approximate relations for the spin-dependence of the exchange energy in high magnetic fields, Juliana M. Morbec and Klaus Capelle. Int. J. Mod. Phys. B 23, 3004 (2009).

• Contribution of the second Landau level to the exchange energy of the three dimensional electron gas in a high magnetic field, Juliana M. Morbec and Klaus Capelle. Phys. Rev. B 78, 085107 (2008).

• Orbital-polarization terms: from a phenomenological to a first-principles description of orbital magnetism in density-functional theory, Juliana M. Morbec and Klaus Capelle. Int. J. Quantum Chem. 108, 2433 (2008).

• Ge adsorption on SiC(0001): an ab initio study, Juliana M. Morbec and Roberto H. Miwa. Surf. Sci. 600, 1107 (2006).