First principles investigation of structural, electronic and optical properties of synthesized radiaannulene oligomers for 6,6,12-graphyne
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[1] D. Jana,et al. Electronic and optical properties of non-hexagonal Dirac material S-graphene sheet and nanoribbons , 2020 .
[2] D. Jana,et al. A review on role of tetra-rings in graphene systems and their possible applications , 2020, Reports on progress in physics. Physical Society.
[3] Yi Liu,et al. Mirror symmetry origin of Dirac cone formation in rectangular two-dimensional materials. , 2020, Physical chemistry chemical physics : PCCP.
[4] D. Jana,et al. The topology and robustness of two Dirac cones in S-graphene: A tight binding approach , 2020, Scientific Reports.
[5] K. Mikkelsen,et al. Synthesis of radiaannulene oligomers to model the elusive carbon allotrope 6,6,12-graphyne , 2019, Nature Communications.
[6] D. Jana,et al. Acetylenic linkage dependent electronic and optical behaviour of morphologically distinct '-ynes'. , 2019, Physical chemistry chemical physics : PCCP.
[7] D. Jana,et al. Effect and Characterization of Stone–Wales Defects on Graphene Quantum Dot: A First-Principles Study , 2018, Condensed Matter.
[8] A. Al‐Saadi,et al. First Theoretical Framework of Triphenylamine–Dicyanovinylene-Based Nonlinear Optical Dyes: Structural Modification of π-Linkers , 2018 .
[9] A. Chakrabarti,et al. Optical properties and magnetic flux-induced electronic band tuning of a T-graphene sheet and nanoribbon. , 2017, Physical chemistry chemical physics : PCCP.
[10] D. Jana,et al. Size dependent magnetic and optical properties in diamond shaped graphene quantum dots: A DFT study , 2016 .
[11] R. Chauvin,et al. carbo-Naphthalene: A Polycyclic carbo-Benzenoid Fragment of α-Graphyne. , 2016, Angewandte Chemie.
[12] Z. Shao,et al. Optical properties of α-, β-, γ-, and 6,6,12-graphyne structures: First-principle calculations , 2015 .
[13] R. Chauvin,et al. "Carbo-aromaticity" and novel carbo-aromatic compounds. , 2015, Chemical Society reviews.
[14] Mark A Ratner,et al. Towards graphyne molecular electronics , 2015, Nature Communications.
[15] Yanhua Guo,et al. Li decorated 6,6,12-graphyne: A new star for hydrogen storage material , 2014 .
[16] D. Sanyal,et al. Ab-initio calculation of electronic and optical properties of nitrogen and boron doped graphene nanosheet , 2014 .
[17] C. Sevik,et al. Vibrational and thermodynamic properties of α-, β-, γ-, and 6, 6, 12-graphyne structures , 2014, Nanotechnology.
[18] Hui Yan,et al. Two dimensional Dirac carbon allotropes from graphene. , 2014, Nanoscale.
[19] Mingwen Zhao,et al. Two-dimensional carbon topological insulators superior to graphene , 2013, Scientific Reports.
[20] Wenpo Li,et al. A first-principles study on the structural, elastic, electronic, optical, lattice dynamical, and thermodynamic properties of zinc-blende CdX (X = S, Se, and Te) , 2013 .
[21] Wanlin Guo,et al. Intrinsic electronic and transport properties of graphyne sheets and nanoribbons. , 2013, Nanoscale.
[22] R. J. Xavier,et al. Conformational stability, vibrational spectra, HOMO-LUMO and NBO analysis of 1,3,4-thiadiazolidine-2,5-dithione with experimental (FT-IR and FT-Raman) techniques and scaled quantum mechanical calculations. , 2013, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.
[23] Yo Shimizu,et al. Syntheses and properties of graphyne fragments: trigonally expanded dehydrobenzo[12]annulenes. , 2013, Chemistry.
[24] Chia-Liang Sun,et al. Effect of chemical doping of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nanotubes , 2013 .
[25] G. Gao,et al. The transport properties and new device design: the case of 6,6,12-graphyne nanoribbons. , 2013, Nanoscale.
[26] A. L. Ivanovskii,et al. Graphynes and graphdyines , 2013 .
[27] Jinyang Xi,et al. Carrier Mobility in Graphyne Should Be Even Larger than That in Graphene: A Theoretical Prediction. , 2013, The journal of physical chemistry letters.
[28] E. Johnston-Halperin,et al. Progress, challenges, and opportunities in two-dimensional materials beyond graphene. , 2013, ACS nano.
[29] H. Sevinçli,et al. A bottom-up route to enhance thermoelectric figures of merit in graphene nanoribbons , 2013, Scientific reports.
[30] Yu Liu,et al. Structural and electronic properties of T graphene: a two-dimensional carbon allotrope with tetrarings. , 2013, Physical review letters.
[31] A. Görling,et al. Two-dimensional materials with Dirac cones: Graphynes containing heteroatoms , 2012 .
[32] Francesc Viñes,et al. Competition for graphene: graphynes with direction-dependent Dirac cones. , 2012, Physical review letters.
[33] H. Choi,et al. Graphyne: Hexagonal network of carbon with versatile Dirac cones , 2011, 1112.2932.
[34] Fengmin Wu,et al. Elastic, Electronic, and Optical Properties of Two-Dimensional Graphyne Sheet , 2011 .
[35] A. Enyashin,et al. Graphene allotropes , 2011 .
[36] A. Balandin. Thermal properties of graphene and nanostructured carbon materials. , 2011, Nature materials.
[37] Qiang Sun,et al. Electronic structures and bonding of graphyne sheet and its BN analog. , 2011, The Journal of chemical physics.
[38] Lizhi Zhang,et al. Graphyne- and Graphdiyne-based Nanoribbons: Density Functional Theory Calculations of Electronic Structures , 2011, 1211.4310.
[39] H. Sevinçli,et al. Control of thermal and electronic transport in defect-engineered graphene nanoribbons. , 2011, ACS nano.
[40] Hongyu Zhang,et al. High Mobility and High Storage Capacity of Lithium in sp–sp2 Hybridized Carbon Network: The Case of Graphyne , 2011 .
[41] A. Ferrari,et al. Graphene Photonics and Optoelectroncs , 2010, CLEO 2012.
[42] R. Kaner,et al. Honeycomb carbon: a review of graphene. , 2010, Chemical reviews.
[43] M I Katsnelson,et al. Chemical functionalization of graphene , 2008, Journal of physics. Condensed matter : an Institute of Physics journal.
[44] S. Sen,et al. Static and dynamic hyperpolarizability tensors of aluminum metal clusters, Al4M4 (M=Li, Na, and K) , 2007 .
[45] Charles A. Johnson,et al. Carbon networks based on benzocyclynes. 6. synthesis of graphyne substructures via directed alkyne metathesis. , 2007, Organic letters.
[46] Andre K. Geim,et al. The rise of graphene. , 2007, Nature materials.
[47] S. Sen,et al. Frequency-dependent nonlinear optical properties of CdSe clusters , 2006 .
[48] Andre K. Geim,et al. Electric Field Effect in Atomically Thin Carbon Films , 2004, Science.
[49] N. Handy,et al. A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP) , 2004 .
[50] Joerg Heber,et al. Broadband Modulation of Light by Using an Electro-Optic Polymer , 2002, Science.
[51] D. V. Petrov,et al. Size and Band-Gap Dependences of the First Hyperpolarizability of CdxZn1-xS Nanocrystals , 2002 .
[52] D. Sánchez-Portal,et al. The SIESTA method for ab initio order-N materials simulation , 2001, cond-mat/0104182.
[53] Zhang,et al. Low (Sub-1-volt) halfwave voltage polymeric electro-optic modulators achieved by controlling chromophore shape , 2000, Science.
[54] Jami English,et al. Carbon networks based on dehydrobenzoannulenes. 3. Synthesis of graphyne substructures , 2000, Organic letters.
[55] Shugo Suzuki,et al. Optimized geometries and electronic structures of graphyne and its family , 1998 .
[56] Leo Radom,et al. Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors , 1996 .
[57] Soler,et al. Self-consistent order-N density-functional calculations for very large systems. , 1996, Physical review. B, Condensed matter.
[58] Parr,et al. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density. , 1988, Physical review. B, Condensed matter.
[59] Ray H. Baughman,et al. Structure‐property predictions for new planar forms of carbon: Layered phases containing sp2 and sp atoms , 1987 .
[60] F. Schwierz. Graphene transistors. , 2010, Nature nanotechnology.
[61] A. Jen,et al. A side-chain dendronized nonlinear optical polyimide with large and thermally stable electrooptic activity , 2004 .