[1] K. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, A. A. Firsov, “Electric field effect in atomically thin carbon films,” Science, 306, 666-669, 2004.
[2] G. R. Bhimanapati, Z, Lin, V. Meunier, Y. Jung, J. Cha, S. Das, D. Xiao, Y. Son, M. S. Strano,V. R. Cooper, L. Liang, “Recent advances in two-dimensional materials beyond graphene,” ACS nano, 9, 11509-11539, 2015.
[3] F. Zhao, T. Thoung Nguyen, M. Golsharifi, S. Amakubo, K. P. Loh, and R. B. Jackman, “Electronic properties of graphene-single crystal diamond heterostructures,” Journal of Applied Physics, 114, 053709- 053714, 2013.
[4] H. M. Dong, K. Han, and W. Xu, “Dynamic optical properties in graphene: Length versus velocity gauge,” Journal of Applied Physics, 115, 063503-063508, 2014.
[5] C. Lee, X. Wei, J. W. Kysar, and J. Hone, “Measurement of the elastic properties and intrinsic strength of monolayer graphene.,” Science, 321, 385–388, 2008.
[6] S. Ghosh, W. Bao, D. L. Nika, S. Subrina, E. P. Pokatilov, C. N. Lau, A. A. Balandin, ” Dimensional crossover of thermal transport in few-layer graphene,” Nature materials, 9, 555-558, 2010.
[7] D. Funes Rojas, D. Sun, and M. Ponga, “Twinning in two-dimensional materials and its application to electronic properties,” Electronic structure, 1, 025001-025044, 2019.
[8] F. Withers, M. Dubois, and A. K. Savchenko, “Electron properties of fluorinated single-layer graphene transistors,” Physical Review B, 82, 073403-073408, 2010.
[9] A. K. Geim and I. V. Grigorieva, “Van der Waals heterostructures,” Nature, 499, 419–425, 2013.
[10] M. S. Strano, A. Kis, J. N. Coleman, Q. H. Wang, and K. Kalantar-Zadeh, “Electronics and optoelectronics of two-dimensional transition metal dichalcogenides,” Nature Nanotechnology, 7, 699–712, 2012.
[11] A. Thomas, A. Fischer, F. Goettmann, M. Antonietti, J.-O. Müller, R. Schlögl, J. M. Carlsson, “Graphitic carbon nitride materials: variation of structure and morphology and their use as metal-free catalysts,” Journal of Materials Chemistry, 18, 4893-4908, 2008.
[12] H. Zhang, Y. Liao, G. Yang, et al. Theoretical studies on the electronic and optical properties of honeycomb BC3 monolayer: a promising candidate for metal-free photocatalysts. ACS Omega. 3,10517–10525, 2018.
[13] T. Yu, Z. Zhao,Y. Sun, A. Bergara, J. Lin, S. Zhang, H. Xu, L. Zhang, G. Yang, and Y. Liu, “Two-Dimensional PC6 with Direct Band Gap and Anisotropic Carrier Mobility,” J. Am. Chem. Soc., 141, 1599−1605, 2019.
[14] Y. Z. Abdullahi, T. L. Yoon, M. M. Halim, M. R. Hashim, and T. L. Lim, “Mechanical and electronic properties of graphitic carbon nitride sheet: First-principles calculations,” Solid State Commun., 248, 144–150, 2016.
[15] B. Mortazavi, M. Shahrokhi, M. E. Madjet, T.
Hussain,
X. Zhuang and T. Rabczuk, “N-, B-, P-, Al-, As-, and Ga-graphdiyne/graphyne lattices: first-principles investigation of mechanical, optical and electronic properties,” J. Mater. Chem. C., 7, 3025-3036, 2019.
[16]
W. Xu,
Y. Chen,
Y. Zhao,
M. Zhang,
R. Tian, and
C. Zhang, “Methane adsorption properties of N-doped graphdiyne: a first-principles study,”
Structural Chemistry, 32, 1517–1527, 2021.
[17] I. Muhammad, U. Younis, H. Xie, Y. Kawazoe, and Q. sun, “Graphdiyne-Based Monolayers as Promising Anchoring Materials for Lithium–Sulfur Batteries: A Theoretical Study,” Advanced Theory and Simulations, 3, 1900236 (1-7), 2020.
[18] B. Mortazavi, M. Makaremi, M. Shahrokhi, Z. Fan, and T. Rabczuk, “N-graphdiyne two-dimensional nanomaterials: Semiconductors with low thermal conductivity and high stretchability,” Carbon,137,57–67, 2018.
[19] A.F. Ioffe, L.S. Stil'bans, E.K. Iordanishvili, T. S. Stavitskaya, A. Gelbtuch, “Semiconductor Thermoelements and Thermoelectric Cooling,” Physics Today, 12, 42, 1959.
[20] S. Shimizu, J. Shiogai, N. Takemori, S. Sakai, H. Ikeda, R. Arita, T. Nojima, A. Tsukazaki, Y.Iwasa, “Giant thermoelectric power factor in ultrathin FeSe superconductor,” Nature Communication, 10, 825, 2019.
[21] L.D. Hicks, M.S. Dresselhaus, “Thermoelectric figure of merit of a one-dimensional conductor,” Physical Review B, 47, 16631, 1993.
[22] R. Venkatasubramanian, E. Siivola, T. Colpitts, B. O’Quinn, “Thin-film thermoelectric devices with high room temperature figures of merit,” Nature, 413, 597-602, 2001.
[23] D. Vashaee, A. Shakouri, “Electronic and thermoelectric transport in semiconductor and metallic superlattices,” Journal of Applied Physics, 95, 1233-1238, 2004.
[24] G. Zeng, X. Fan, C. LaBounty, E. Croke, Y. Zhang, J. Christofferson, D. Vashaee, A. Shakouri, J.E. Bowers, “Thermal Nanosystems and Nanomaterials,” MRS Proc, 2003.
[25] P. Giannozzi, S. Baroni,N. Bonini, M. Calandra, R. Car, C. CaVazzoni, D. Ceresoil, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Coroso, S. Gironcoil, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia,S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari,R. M. Wentzcovitch, “QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials,” Journal of Physics: Condensed Matter, 21, 395502, 2009.
[26] J. P. Perdew, K. Burke, and M. Ernzerhof, “Generalized Gradient Approximation Made Simple,” Physical Review Letters, 77, 3865-3868, 1996.
[27] H. J. Monkhorst, J. D. Pack, “Special points for Brillouin-zone integrations,” Physical Review B, 13, 5188–5192, 1976.
[28] G. K. H. Madsen,D. L. Singh, “BoltzTraP. A code for calculating band-structure dependent quantities,” Computer Physics Communications, 175, 67-71, 2006.
[29] B. Silvi, A. Savin, “Classification of Chemical-Bonds Based on Topological Analysis of Electron Localization Functions,” Nature, 371, 683-686, 1994.
[30] H. J. Goldsmid, “Introduction to Thermoelectricity,” Springer-Verlag, Berlin, Heidelberg, 2010.
[31] T. J. Scheidemantel, C. Ambrosch-Draxl, T. Thonhauser, J. V. Badding, and J. O. Sofo, “Transport coefficients from first-principles calculations,” Physical Review B, 68, 125210-125217, 2003.
[32] Y. Wang, Y. Hu, S. L. Shang, B. C. Zhou, Z. K. Liu, L. Q. Chen,” First-principles thermodynamic theory of Seebeck coefficients,” Physical Review B, 98, 224101-224125, 2018.
[33] N. T. Hung, A. R. Nugraha, R. Saito R, “Two-dimensional InSe as a potential thermoelectric material,” Applied Physics Letters, 111, 092107-092112, 2017.
[34] H. Goldsmid, J. Sharp, “Estimation of the thermal band gap of a semiconductor from Seebeck measurements,” Journal of electronic materials, 28, 869–872, 1999.
[35] D’Souza, R.; Mukherjee, S. First-principles study of the electrical and lattice thermal transport in monolayer and bilayer graphene. Phys. Rev. B, 95, 85435, 2017.
[36] L. Sun, P. H. Jiang, H. J. Liu, D. D. Fan, J. H. Liang, J. Wei, L. Cheng, J. Zhang, and J. Shi, “Graphdiyne: a two-dimensional thermoelectric material with high figure of merit,” Carbon, 90, 255-259, 2015.
[37] A. Bejan, A. D. Allan, “Heat Transfer Handbook,” New York, Wiley, 1338, 2003.