Study on the structure and electronic property of adsorbed guanine on aluminum doped graphene: First principles calculations

Cleaves, 2010, Adsorption of nucleic acid components on rutile (TiO2) surfaces, Astrobiology, 10, 311, 10.1089/ast.2009.0397 Van Der Velden, 1974, Purines and pyrimidines in sediments from Lake Erie, Science, 185, 691, 10.1126/science.185.4152.691 Baei, 2014, A computational study of adenine, uracil, and cytosine adsorption upon AlN and BN nano-cages, Phys. B, 444, 6, 10.1016/j.physb.2014.03.013 Mirzaei, 2012, Modifying a graphene layer by a thymine or a uracil nucleobase: DFT studies, Superlattices Microstruct., 52, 306, 10.1016/j.spmi.2012.05.010 Mirzaei, 2012, Computational studies of the purine-functionalized graphene sheets, Superlattices Microstruct., 52, 612, 10.1016/j.spmi.2012.06.027 Cazorla, 2010, Ab initio study of the binding of collagen amino acids to graphene and A-doped (A = H, Ca) graphene, Thin Solid Films, 518, 6951, 10.1016/j.tsf.2010.06.068 Shtogun, 2007, Adsorption of adenine and thymine and their radicals on single-wall carbon nanotubes, J. Phys. Chem. C, 111, 18174, 10.1021/jp074270g Mayer, 2001, Density functional study of guanine and uracil quartets and of guanine quartet/metal ion complexes, J. Comput. Chem., 22, 109, 10.1002/1096-987X(20010115)22:1<109::AID-JCC11>3.0.CO;2-5 Rauls, 2008, DFT calculations of adenine adsorption on coin metal (1 1 0) surfaces, Surf. Sci., 602, 2170, 10.1016/j.susc.2008.04.029 Arsawang, 2011, How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system?, J. Mol. Graph. Model, 29, 591, 10.1016/j.jmgm.2010.11.002 Saikia, 2011, Density functional calculations on adsorption of 2-methylheptylisonicotinate antitubercular drug onto functionalized carbon nanotube, Comput. Theor. Chem., 964, 257, 10.1016/j.comptc.2011.01.006 Schmidt, 2008, DFT calculations of adenine adsorption on coin metal (110) surfaces, Surf. Sci., 602, 2170, 10.1016/j.susc.2008.04.029 Furukawa, 2007, Geometrical characterization of adenine and guanine on Cu(1 1 0) by NEXAFS, XPS, and DFT calculation, Surf. Sci., 601, 5433, 10.1016/j.susc.2007.09.009 Ramraj, 2010, Assessment of approximate quantum chemical methods for calculating the interaction energy of nucleic acid bases with graphene and carbon nanotubes, Chem. Phys. Lett., 484, 295, 10.1016/j.cplett.2009.11.068 Stepanian, 2008, Stacking interaction of cytosine with carbon nanotubes: MP2, DFT and Raman spectroscopy study, Chem. Phys. Lett., 459, 153, 10.1016/j.cplett.2008.05.035 Novoselov, 2004, Electric field effect in atomically thin carbon films, Science, 306, 666, 10.1126/science.1102896 Supinda, 2007, Graphene−silica composite thin films as transparent conductors, Nano Lett., 7, 1888, 10.1021/nl070477+ Wang, 2008, Transparent, conductive graphene electrodes for Dye-sensitized solar cells, Nano Lett., 8, 323, 10.1021/nl072838r Peter, 2008, Graphene-based liquid Crystal device, Nano Lett., 8, 1704, 10.1021/nl080649i Lee, 2013, Theoretical investigation of CO2, adsorption on graphene, Bull. Korean Chem. Soc., 34, 3022, 10.5012/bkcs.2013.34.10.3022 Shokuhi Rad, 2015, Lewis acid-base surface interaction of some boron compounds with N-doped graphene; first principles study, Curr. Appl. Phys., 15, 1271, 10.1016/j.cap.2015.07.018 Shokuhi Rad, 2015, Adsorption of acetyl halide molecules on the surface of pristine and Al-doped graphene: ab initio study, Appl. Surf. Sci., 355, 233, 10.1016/j.apsusc.2015.07.113 Shokuhi Rad, 2015, Al-doped graphene as sensitive nanostructure sensor for some ether molecules: ab-initio study of adsorption, Synth. Met., 209, 419, 10.1016/j.synthmet.2015.08.016 Shokuhi Rad, 2015, First principles study of Al-doped graphene as nanostructure adsorbent for NO2 and N2O:DFT calculations, Appl. Surf. Sci., 357, 1217, 10.1016/j.apsusc.2015.09.168 Shokuhi Rad, 2015, Density functional study of Al-doped graphene nanostructure towards adsorption of CO, CO2 and H2O, Synth. Met., 210, 171, 10.1016/j.synthmet.2015.09.026 Shokuhi Rad, 2016, Al-doped graphene as a new nanostructure adsorbent for some halomethane compounds: DFT calculations, Surf. Sci., 645, 6, 10.1016/j.susc.2015.10.036 Shokuhi Rad, 2016, Chemisorption of NO on Pt-decorated graphene as modified nanostructure media: a first principles study, Appl. Surf. Sci., 360, 1041, 10.1016/j.apsusc.2015.11.126 Shokuhi Rad, 2016, Adsorption of C2H2 and C2H4 on Pt-decorated graphene nanostructure: ab-initio study, Synth. Met., 211, 115, 10.1016/j.synthmet.2015.11.031 Shokuhi Rad, 2015, Ab-initio study of interaction of some atmospheric gases (SO2, NH3, H2O, CO, CH4 and CO2) with polypyrrole (3PPy) gas sensor: DFT calculations, Sens. Actuators B, 220, 641, 10.1016/j.snb.2015.06.019 Shokuhi Rad, 2015, Interaction of methanol with some aniline and pyrrole derivatives: DFT calculations, Synth. Met., 209, 502, 10.1016/j.synthmet.2015.08.021 Shokuhi Rad, 2015, Interaction of SO2 and SO3 on Terthiophene (as a model of polythiophene gas sensor): DFT calculations, Chem. Phys. Lett., 639, 29, 10.1016/j.cplett.2015.08.062 Shokuhi Rad, 2015, First-principles study of terpyrrole as a potential hydrogen cyanide sensor: DFT calculations, J. Mol. Model, 21, 273, 10.1007/s00894-015-2814-y Shokuhi Rad, 2015, Application of carbon nanostructures towards SO2 and SO3 adsorption: a comparison between pristine graphene and N-doped graphene by DFT calculations, J. Sulf Chem. Shokuhi Rad, 2015, DFT calculation of Polythiophen (3PT) toward methanol vapor detection; ab-initio study, J. Mol. Model, 21, 285, 10.1007/s00894-015-2832-9 Shokuhi Rad, 2015, Terthiophene as a model sensor for some atmospheric gases: theoretical study, Mol. Phys. Frisch, 2009 Grimme, 2010, A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements HPu, J. Chem. Phys., 132, 154104, 10.1063/1.3382344 Li, 2006