Atomistic modeling of phonon transport in turbostratic graphitic structures

作者: Rui Mao , Yifeng Chen , Ki Wook Kim

DOI: 10.1063/1.4952703

关键词: GrapheneComputational chemistryMaterials scienceMisorientationThermalGraphiteCondensed matter physicsPhononThermal resistanceAb initio quantum chemistry methodsAb initio

摘要: Thermal transport in turbostratic graphitic systems is investigated by using an atomistic analytical model based on the 4th-nearest-neighbor force constant approximation and a registry-…

参考文章(30)
Robert M. Elder, Mahesh R. Neupane, Tanya L. Chantawansri, Stacking order dependent mechanical properties of graphene/MoS2 bilayer and trilayer heterostructures Applied Physics Letters. ,vol. 107, pp. 073101- ,(2015) , 10.1063/1.4928752
Alexandr I. Cocemasov, Denis L. Nika, Alexander A. Balandin, Engineering of the thermodynamic properties of bilayer graphene by atomic plane rotations: the role of the out-of-plane phonons Nanoscale. ,vol. 7, pp. 12851- 12859 ,(2015) , 10.1039/C5NR03579A
François Varchon, Pierre Mallet, Laurence Magaud, Jean-Yves Veuillen, Rotational disorder in few-layer graphene films on6H−SiC(000−1): A scanning tunneling microscopy study Physical Review B. ,vol. 77, pp. 165415- ,(2008) , 10.1103/PHYSREVB.77.165415
C. Chiritescu, D. G. Cahill, N. Nguyen, D. Johnson, A. Bodapati, P. Keblinski, P. Zschack, Ultralow Thermal Conductivity in Disordered, Layered WSe2 Crystals Science. ,vol. 315, pp. 351- 353 ,(2007) , 10.1126/SCIENCE.1136494
R. Mao, B. D. Kong, C. Gong, S. Xu, T. Jayasekera, K. Cho, K. W. Kim, First-principles calculation of thermal transport in metal/graphene systems Physical Review B. ,vol. 87, pp. 165410- ,(2013) , 10.1103/PHYSREVB.87.165410
S. Shallcross, S. Sharma, E. Kandelaki, O. A. Pankratov, Electronic structure of turbostratic graphene Physical Review B. ,vol. 81, pp. 165105- ,(2010) , 10.1103/PHYSREVB.81.165105
E. de Rouffignac, G. P. Alldredge, F. W. de Wette, Lattice dynamics of graphite slabs Physical Review B. ,vol. 23, pp. 4208- 4219 ,(1981) , 10.1103/PHYSREVB.23.4208
Seung-Geol Nam, Dong-Keun Ki, Hu-Jong Lee, Thermoelectric transport of massive Dirac fermions in bilayer graphene Physical Review B. ,vol. 82, pp. 245416- ,(2010) , 10.1103/PHYSREVB.82.245416
K. H. Michel, B. Verberck, Theory of the evolution of phonon spectra and elastic constants from graphene to graphite Physical Review B. ,vol. 78, pp. 085424- ,(2008) , 10.1103/PHYSREVB.78.085424
G. Trambly de Laissardière, D. Mayou, L. Magaud, Numerical studies of confined states in rotated bilayers of graphene Physical Review B. ,vol. 86, pp. 125413- ,(2012) , 10.1103/PHYSREVB.86.125413