期刊论文

Peng, Xiao-Fang;Chen, Ke-Qiu

英文

Carbon

0008-6223

2017

113

334-339

10.1016/j.carbon.2016.11.066

This work was supported by the National Natural Science Foundation of China (Grant Nos. 11247030 , 11547167 , and 11447034 ), by Hunan Provincial Natural Science Foundation of China (Grant No. 14JJ4054 ), by Scientific Innovation Fund for Graduate of Central South University of Forestry and Technology (Grant No. CX2016B26 ), and by the Talent Introducing Foundation of Central South University of Forestry and Technology (Grant No. 104-0160 ).

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The thermal transport properties of phonons in zigzag graphene nanoribbon (ZGNR) modulated by defect and alternating boron-nitride structure (BNS) are studied by nonequilibrium Greens function (NEGF) formalism combined with first-principles calculations of density-functional theory with local density approximation. Our calculations show that the thermal conductance in ZGNR with BNS is higher than that in ZGNR with cavity. The grouping between defect and BNS can induce high frequency phonon blocking effect, and the blocking effect depends on the...