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By means of the first-principles calculations combined with the tight-binding approximation, the strain-induced semiconductor-semimetal transition in graphdiyne is discovered. It is shown that the band gap of graphdiyne increases from 0.47…

Materials Science · Physics 2017-09-13 Hui-Juan Cui , Xian-Lei Sheng , Qing-Bo Yan , Qing-Rong Zheng , Gang Su

Kirigami structure, from the macro- to the nanoscale, exhibits distinct and tunable properties from original 2-dimensional sheet by tailoring. In present work, the extreme reduction of the thermal conductivity by tailoring sizes in graphene…

Materials Science · Physics 2015-12-16 Ning Wei , Yang Chen , Kun Cai , HuiQiong Wang , Junhua Zhao , Jin-Cheng Zheng

Efficient heat dissipation to the substrate is crucial for optimal device performance in nanoelectronics. We develop a theory of electronic thermal boundary conductance (TBC) mediated by remote phonon scattering for the single-layer…

Mesoscale and Nanoscale Physics · Physics 2020-09-28 Zhun-Yong Ong , Gang Zhang , Linyou Cao , Yong-Wei Zhang

We study the transport properties, in particular, the thermoelectric figure of merit ZT of armchair graphene nanoribbons, AGNR-N (for N=4-12, with widths ranging from 3.7 to 13.6~\AA) through strain engineering, where N is the number of…

Materials Science · Physics 2013-08-22 Pei Shan Emmeline Yeo , Michael B. Sullivan , Kian Ping Loh , Chee Kwan Gan

A strained graphene monolayer is shown to operate as a highly efficient quantum heat engine delivering maximum power. The efficiency and power of the proposed device exceeds that of recent proposals. The reason for these excellent…

Mesoscale and Nanoscale Physics · Physics 2017-09-15 Arjun Mani , Colin Benjamin

Applying large strain in zigzag direction, gapless graphene may turns into gapped graphene at the critical strain. The energy gap between valence and conduction bands is created above the critical deformation. We theoretically predict that,…

Mesoscale and Nanoscale Physics · Physics 2011-08-18 Bumned Soodchomshom

Thermal conductance of metal contacts on transferred graphene (trG) could be significantly reduced from the intrinsic value of similar contacts on as-grown graphene (grG), due to additional resistance by increased roughness, residues,…

Materials Science · Physics 2016-04-07 Bin Huang , Yee Kan Koh

We conducted density functional theory (DFT) and molecular dynamics simulations to explore the mechanical/failure, thermal conductivity and stability, electronic and optical properties of three N-graphdiyne nanomembranes. Our DFT results of…

Computational Physics · Physics 2018-05-14 Bohayra Mortazavi , Meysam Makaremi , Masoud Shahrokhi , Zheyong Fan , Timon Rabczuk

We investigate the superconducting properties of inversion-symmetric twisted trilayer graphene by considering different parent states, including spin-singlet, triplet, and SO(4) degenerate states, with or without nodal points. By placing…

Mesoscale and Nanoscale Physics · Physics 2024-01-29 Harley D. Scammell , Mathias S. Scheurer

Twisted van der Waals materials have risen as highly tunable platform for realizing unconventional superconductivity. Here we demonstrate how a topological superconducting state can be driven in a twisted graphene multilayer at a twist…

Mesoscale and Nanoscale Physics · Physics 2024-06-18 Maryam Khosravian , Elena Bascones , Jose L. Lado

In this work, we have studied the effects from increasing the strength of the applied electric field on the charge transport of hydrogenated graphitic fibers. Resistivity measurements were carried out for direct currents in the nA - mA…

Materials Science · Physics 2020-05-19 Nadina Gheorghiu , Charles R. Ebbing , Timothy J. Haugan

Tunable superconductors provide a versatile platform for advancing next-generation quantum technologies. Here, we demonstrate controllable superconductivity in suspended NbSe2 thin layers, achieved through local strain and thermal…

Graphane and graphene are both two-dimensional materials but of different bonding configurations, which can result in distinct thermal conduction properties. We simulate thermal conduction in graphane nanoribbons (GANRs) using the…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Dengfeng Li , Yong Xu , Xiaobin Chen , Bolin Li , Wenhui Duan

Semiconductor nanostructures hold great promise for high-efficiency waste heat recovery exploiting thermoelectric energy conversion, a technological breakthrough that could significantly contribute to providing environmentally friendly…

Carbon nanomaterials continue to amaze scientists due to their exceptional physical properties. Recently there have been theoretical predictions and first reports on graphene multilayers, where, due to the rotation of the stacked layers,…

This work investigates the effect of the uniaxial strain on the tunneling conductance in a strained graphene superconductor where strain is applied in the armchair direction. Based on the Tight-Binding model, applying strain in the armchair…

Superconductivity · Physics 2010-09-24 Bumned Soodchomshom

Prior ultralow thermal conductivity materials are not suitable for thermoelectric applications due to the limited electronic transport in the materials. Here, we present a new class of ultralow thermal conductivity materials with…

Materials Science · Physics 2018-06-27 Bin Huang , Weidong Zheng , Yee Kan Koh

We calculate the temperature dependent conductivity of graphene in the presence of randomly distributed Coulomb impurity charges arising from the temperature dependent screening of the Coulomb disorder without any phonons. The purely…

Mesoscale and Nanoscale Physics · Physics 2009-05-22 E. H. Hwang , S. Das Sarma

First-principles density-functional calculations are performed to investigate the thermal transport properties in graphene nanoribbons (GNRs). The dimensional crossover of thermal conductance from one to two dimensions (2D) is clearly…

Mesoscale and Nanoscale Physics · Physics 2015-06-04 Jian Wang , Xiao-Ming Wang , Yun-Fei Chen , Jian-Sheng Wang

We study thermal transport in folded graphene nanoribbons using molecular dynamics simulations and the non-equilibrium Green's function method. It is found that the thermal conductivity of flat graphene nanoribbons can be modulated by…

Mesoscale and Nanoscale Physics · Physics 2015-06-05 Nuo Yang , Xiaoxi Ni , Jin-Wu Jiang , Baowen Li