First principles study of field effect device through van der Waals and lateral heterostructures of graphene, phosphorene and graphane

Nano Materials Science - Tập 4 - Trang 52-59 - 2022
C. Rebolledo Espinoza1, D.A. Ryndyk1, A. Dianat1, R. Gutierrez1, G. Cuniberti1
1Chair of Materials Science and Nanotechnology, TU Dresden, 01069, Dresden, Germany

Tài liệu tham khảo

Huo, 2015, 2d materials via liquid exfoliation: a review on fabrication and applications, Sci. Bull., 60, 1994, 10.1007/s11434-015-0936-3 Akinwande, 2017, A review on mechanics and mechanical properties of 2d materials―graphene and beyond, Extreme Mechanics Letters, 13, 42, 10.1016/j.eml.2017.01.008 Vijayaraghavan, 2013, 39 Manzeli, 2017, 2d transition metal dichalcogenides, Nature Reviews Materials, 2, 17033, 10.1038/natrevmats.2017.33 Batmunkh, 2016, Phosphorene and phosphorene-based materials – prospects for future applications, Adv. Mater., 28, 8586, 10.1002/adma.201602254 Han, 2014, An unexplored 2d semiconductor with a high hole mobility, ACS Nano, 8, 4033, 10.1021/nn501226z Cassabois, 2016, Hexagonal boron nitride is an indirect bandgap semiconductor, Nat. Photon., 10, 262, 10.1038/nphoton.2015.277 Son, 2016, Hydrogenated monolayer graphene with reversible and tunable wide band gap and its field-effect transistor, Nat. Commun., 7, 13261, 10.1038/ncomms13261 Xu, 2020, Engineering field effect transistors with 2d semiconducting channels: status and prospects, Adv. Funct. Mater., 30, 1901971, 10.1002/adfm.201901971 Nourbakhsh, 2016, Mos2 field-effect transistor with sub-10 nm channel length, Nano Lett., 16, 7798, 10.1021/acs.nanolett.6b03999 Das, 2014, Ambipolar phosphorene field effect transistor, ACS Nano, 8, 11730, 10.1021/nn505868h Akhtar, 2017, Recent advances in synthesis, properties, and applications of phosphorene, npj 2D Materials and Applications, 1, 5, 10.1038/s41699-017-0007-5 Li, 2014, Black phosphorus field-effect transistors, Nat. Nanotechnol., 9, 372, 10.1038/nnano.2014.35 Ziletti, 2015, Phosphorene oxides: bandgap engineering of phosphorene by oxidation, Phys. Rev. B, 91, 10.1103/PhysRevB.91.085407 Babar, 2019, Mechanistic insights in phosphorene degradation, Phys. Rev. Materials, 3, 10.1103/PhysRevMaterials.3.074008 Cai, 2015, Electronic properties of phosphorene/graphene and phosphorene/hexagonal boron nitride heterostructures, J. Phys. Chem. C, 119, 13929, 10.1021/acs.jpcc.5b02634 Pei, 2017, Thermal stability and thermal conductivity of phosphorene in phosphorene/graphene van der waals heterostructures, Phys. Chem. Chem. Phys., 19, 17180, 10.1039/C7CP02553J Shemella, 2009, Electronic structure and band-gap modulation of graphene via substrate surface chemistry, Appl. Phys. Lett., 94, 10.1063/1.3070238 Liu, 2012, Strategies for chemical modification of graphene and applications of chemically modified graphene, J. Mater. Chem., 22, 12435, 10.1039/c2jm31218b Bekyarova, 2012, Advances in the chemical modification of epitaxial graphene, J. Phys. Appl. Phys., 45, 154009, 10.1088/0022-3727/45/15/154009 Wen, 2011, Graphane sheets and crystals under pressure, Proc. Natl. Acad. Sci. Unit. States Am., 108, 6833, 10.1073/pnas.1103145108 Leenaerts, 2010, First-principles investigation of graphene fluoride and graphane, Phys. Rev. B, 82, 10.1103/PhysRevB.82.195436 Zhou, 2014, Graphene's cousin: the present and future of graphane, Nanoscale Research Letters, 9, 26, 10.1186/1556-276X-9-26 Hourahine, 2020, Dftb+, a software package for efficient approximate density functional theory based atomistic simulations, J. Chem. Phys., 152, 124101, 10.1063/1.5143190 Wang, 2007, Nonequilibrium quantum transport properties of a silver atomic switch, Nano Lett., 7, 2688, 10.1021/nl0711054 Wang, 2008, Excess-silver-induced bridge formation in a silver sulfide atomic switch, Appl. Phys. Lett., 93, 152106, 10.1063/1.2963197 Gu, 2009, First-principles simulations on bulk ta2o5 and cu/ta2o5/pt heterojunction: electronic structures and transport properties, J. Appl. Phys., 106, 103713, 10.1063/1.3260244 Pecchia, 2008, Non-equilibrium greens functions in density functional tight binding: method and applications, New J. Phys., 10, 10.1088/1367-2630/10/6/065022 Haug, 2008 Dmitry, 2016 tranasorg/opensuite. Tranas opensuite. 2020. cp2k.org Cp2k (development version). 2020. Padilha, 2015, Van der waals heterostructure of phosphorene and graphene: tuning the Schottky barrier and doping by electrostatic gating, Phys. Rev. Lett., 114, 10.1103/PhysRevLett.114.066803 Ziletti, 2015, Oxygen defects in phosphorene, Phys. Rev. Lett., 114, 10.1103/PhysRevLett.114.046801 Lv, 2018, Sulfur-doped black phosphorus field-effect transistors with enhanced stability, ACS Appl. Mater. Interfaces, 10, 9663, 10.1021/acsami.7b19169 Junhua, 2019, Sulfur-doped phosphorene as a promising anode for na and k-ion batteries, Phys. Status Solidi, 256, 1800418, 10.1002/pssb.201800418