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Bibliography.bib
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@article{calogero_electron_2019,
title = {Electron {Transport} in {Nanoporous} {Graphene}: {Probing} the {Talbot} {Effect}},
volume = {19},
issn = {1530-6984, 1530-6992},
shorttitle = {Electron {Transport} in {Nanoporous} {Graphene}},
url = {http://pubs.acs.org/doi/10.1021/acs.nanolett.8b04616},
doi = {10.1021/acs.nanolett.8b04616},
number = {1},
urldate = {2019-02-13},
journal = {Nano Letters},
author = {Calogero, Gaetano and Papior, Nick R. and Kretz, Bernhard and Garcia-Lekue, Aran and Frederiksen, Thomas and Brandbyge, Mads},
month = jan,
year = {2019},
pages = {576--581}
}
@article{fan_redox_2017,
title = {Redox control of magnetic transport properties of a single anthraquinone molecule with different contacted geometries},
volume = {113},
issn = {00086223},
url = {https://linkinghub.elsevier.com/retrieve/pii/S0008622316309952},
doi = {10.1016/j.carbon.2016.11.021},
urldate = {2019-06-11},
journal = {Carbon},
author = {Fan, Zhi-Qiang and Sun, Wei-Yu and Jiang, Xiang-Wei and Zhang, Zhen-Hua and Deng, Xiao-Qing and Tang, Gui-Ping and Xie, Hai-Qing and Long, Meng-Qiu},
month = mar,
year = {2017},
pages = {18--25}
}
@article{markussen_relation_2010,
title = {The {Relation} between {Structure} and {Quantum} {Interference} in {Single} {Molecule} {Junctions}},
volume = {10},
issn = {1530-6984, 1530-6992},
url = {https://pubs.acs.org/doi/10.1021/nl101688a},
doi = {10.1021/nl101688a},
number = {10},
urldate = {2019-06-11},
journal = {Nano Letters},
author = {Markussen, Troels and Stadler, Robert and Thygesen, Kristian S.},
month = oct,
year = {2010},
pages = {4260--4265}
}
@article{boggild_two-dimensional_2017,
title = {A two-dimensional {Dirac} fermion microscope},
volume = {8},
issn = {2041-1723},
url = {http://www.nature.com/articles/ncomms15783},
doi = {10.1038/ncomms15783},
number = {1},
urldate = {2019-06-12},
journal = {Nature Communications},
author = {Bøggild, Peter and Caridad, José M. and Stampfer, Christoph and Calogero, Gaetano and Papior, Nick Rübner and Brandbyge, Mads},
month = aug,
year = {2017},
}
@unpublished{unpub,
title = {Quantum inteference engineering of nanoporous graphene for carbon nanocircuitry},
author = {Calogero, Gaetano and Alcón, Isaac and Papior, Nick and Jauho, Antti-Pekka and Brandbyge, Mads},
year = {2019},
note = {Submitted for publication in \href{https://pubs.acs.org/journal/jacsat}{Journal of American Chemical Society}},
}
@article{li_single_2019,
title = {Single spin localization and manipulation in graphene open-shell nanostructures},
volume = {10},
issn = {2041-1723},
url = {http://www.nature.com/articles/s41467-018-08060-6},
doi = {10.1038/s41467-018-08060-6},
number = {1},
urldate = {2019-06-13},
journal = {Nature Communications},
author = {Li, Jingcheng and Sanz, Sofia and Corso, Martina and Choi, Deung Jang and Peña, Diego and Frederiksen, Thomas and Pascual, Jose Ignacio},
month = dec,
year = {2019},
file = {Full Text:C\:\\Users\\rwiuf\\Zotero\\storage\\WUDN5RPS\\Li et al. - 2019 - Single spin localization and manipulation in graph.pdf:application/pdf}
}
@article{Moreno199,
author = {Moreno, C{\'e}sar and Vilas-Varela, Manuel and Kretz, Bernhard and Garcia-Lekue, Aran and Costache, Marius V. and Paradinas, Markos and Panighel, Mirko and Ceballos, Gustavo and Valenzuela, Sergio O. and Pe{\~n}a, Diego and Mugarza, Aitor},
title = {Bottom-up synthesis of multifunctional nanoporous graphene},
volume = {360},
number = {6385},
pages = {199--203},
year = {2018},
doi = {10.1126/science.aar2009},
publisher = {American Association for the Advancement of Science},
abstract = {Nanosize pores in graphene can make its electronic properties more favorable for transistor applications and may also be useful for molecular separations. Moreno et al. used Ullmann coupling to polymerize a dibromo-substituted diphenylbianthracene on a gold surface (see the Perspective by Sinitskii). Cyclodehydrogenation of the resulting polymer produced graphene nanoribbons, and cross-coupling of these structures created a nanoporous graphene sheet with pore sizes of about 1 nanometer. Scanning tunneling spectroscopy revealed an electronic structure in which semiconductor bands with an energy gap of 1 electron volt coexist with localized states created by the pores.Science, this issue p. 199; see also p. 154Nanosize pores can turn semimetallic graphene into a semiconductor and, from being impermeable, into the most efficient molecular-sieve membrane. However, scaling the pores down to the nanometer, while fulfilling the tight structural constraints imposed by applications, represents an enormous challenge for present top-down strategies. Here we report a bottom-up method to synthesize nanoporous graphene comprising an ordered array of pores separated by ribbons, which can be tuned down to the 1-nanometer range. The size, density, morphology, and chemical composition of the pores are defined with atomic precision by the design of the molecular precursors. Our electronic characterization further reveals a highly anisotropic electronic structure, where orthogonal one-dimensional electronic bands with an energy gap of \~{}1 electron volt coexist with confined pore states, making the nanoporous graphene a highly versatile semiconductor for simultaneous sieving and electrical sensing of molecular species.},
issn = {0036-8075},
URL = {https://science.sciencemag.org/content/360/6385/199},
eprint = {https://science.sciencemag.org/content/360/6385/199.full.pdf},
journal = {Science}
}
@book{simon2013oxford,
title={The Oxford Solid State Basics},
author={Simon, S.H.},
isbn={9780199680764},
lccn={2013936358},
url={https://books.google.dk/books?id=QI8jLeTOBAsC},
year={2013},
publisher={OUP Oxford}
}
@misc{zerothi_sisl,
author = {Papior, Nick R.},
title = {sisl: v0.9.5},
year = {2018},
doi = {10.5281/zenodo.597181},
url = {https://doi.org/10.5281/zenodo.597181},
}
@article{Soler_2002,
doi = {10.1088/0953-8984/14/11/302},
url = {https://doi.org/10.1088%2F0953-8984%2F14%2F11%2F302},
year = 2002,
month = {mar},
publisher = {{IOP} Publishing},
volume = {14},
number = {11},
pages = {2745--2779},
author = {Jos{\'{e}} M Soler and Emilio Artacho and Julian D Gale and Alberto Garc{\'{\i}}a and Javier Junquera and Pablo Ordej{\'{o}}n and Daniel S{\'{a}}nchez-Portal},
title = {The {SIESTA} method forab initioorder-Nmaterials simulation},
journal = {Journal of Physics: Condensed Matter},
abstract = {We have developed and implemented a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals. Exchange and correlation are treated with the local spin density or generalized gradient approximations. The basis functions and the electron density are projected on a real-space grid, in order to calculate the Hartree and exchange-correlation potentials and matrix elements, with a number of operations that scales linearly with the size of the system. We use a modified energy functional, whose minimization produces orthogonal wavefunctions and the same energy and density as the Kohn-Sham energy functional, without the need for an explicit orthogonalization. Additionally, using localized Wannier-like electron wavefunctions allows the computation time and memory required to minimize the energy to also scale linearly with the size of the system. Forces and stresses are also calculated efficiently and accurately, thus allowing structural relaxation and molecular dynamics simulations.}
}
@article{mayorov_micrometer-scale_2011,
title = {Micrometer-{Scale} {Ballistic} {Transport} in {Encapsulated} {Graphene} at {Room} {Temperature}},
volume = {11},
issn = {1530-6984, 1530-6992},
url = {https://pubs.acs.org/doi/10.1021/nl200758b},
doi = {10.1021/nl200758b},
number = {6},
urldate = {2019-06-17},
journal = {Nano Letters},
author = {Mayorov, Alexander S. and Gorbachev, Roman V. and Morozov, Sergey V. and Britnell, Liam and Jalil, Rashid and Ponomarenko, Leonid A. and Blake, Peter and Novoselov, Kostya S. and Watanabe, Kenji and Taniguchi, Takashi and Geim, A. K.},
month = jun,
year = {2011},
pages = {2396--2399}
}
@article{banszerus_ballistic_2016,
title = {Ballistic {Transport} {Exceeding} 28 μm in {CVD} {Grown} {Graphene}},
volume = {16},
issn = {1530-6984, 1530-6992},
url = {http://pubs.acs.org/doi/10.1021/acs.nanolett.5b04840},
doi = {10.1021/acs.nanolett.5b04840},
number = {2},
urldate = {2019-06-17},
journal = {Nano Letters},
author = {Banszerus, Luca and Schmitz, Michael and Engels, Stephan and Goldsche, Matthias and Watanabe, Kenji and Taniguchi, Takashi and Beschoten, Bernd and Stampfer, Christoph},
month = feb,
year = {2016},
pages = {1387--1391},
file = {Submitted Version:C\:\\Users\\rwiuf\\Zotero\\storage\\W5GMJ36E\\Banszerus et al. - 2016 - Ballistic Transport Exceeding 28 μm in CVD Grown G.pdf:application/pdf}
}
@article{baringhaus_exceptional_2014,
title = {Exceptional ballistic transport in epitaxial graphene nanoribbons},
volume = {506},
issn = {0028-0836, 1476-4687},
url = {http://www.nature.com/articles/nature12952},
doi = {10.1038/nature12952},
number = {7488},
urldate = {2019-06-17},
journal = {Nature},
author = {Baringhaus, Jens and Ruan, Ming and Edler, Frederik and Tejeda, Antonio and Sicot, Muriel and Taleb-Ibrahimi, Amina and Li, An-Ping and Jiang, Zhigang and Conrad, Edward H. and Berger, Claire and Tegenkamp, Christoph and de Heer, Walt A.},
month = feb,
year = {2014},
pages = {349--354},
file = {Submitted Version:C\:\\Users\\rwiuf\\Zotero\\storage\\4QNV8S94\\Baringhaus et al. - 2014 - Exceptional ballistic transport in epitaxial graph.pdf:application/pdf}
}
@article{perdew1996a,
title = {Generalized gradient approximation made simple},
publisher = {AMERICAN PHYSICAL SOC},
journal = {Physical Review Letters},
volume = {77},
number = {18},
pages = {3865-3868},
year = {1996},
issn = {10797114, 00319007},
abstract = {Generalized gradient approximations (GGA's) for the exchange-correlation energy improve upon the local spin density (LSD) description of atoms, molecules, and solids. We present a simple derivation of a simple GGA, in which all parameters (other than those in LSD) are fundamental constants. Only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked. Improvements over PW91 include an accurate description of the linear response of the uniform electron gas, correct behavior under uniform scaling, and a smoother potential. © 1996 The American Physical Society.},
doi = {10.1103/PhysRevLett.77.3865},
author = {Perdew, John P. and Burke, Kieron and Ernzerhof, Matthias}
}