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Using non-equilibrium molecular dynamics (NEMD) simulation, we study thermal properties of the so-called nanoporous graphene (NPG) sheet which contains a series of nanoporous in an ordered way and was synthesized recently (Science 360…

Computational Physics · Physics 2021-07-29 Farrokh Yousefi , Farhad Khoeini , Ali Rajabpour

Electronic and thermoelectric transport in zigzag monolayer WSe$_2$ nanoribbons are studied under monochromatic irradiation. The electronic structure is described within a six-orbital tight-binding framework constructed from the relevant…

Mesoscale and Nanoscale Physics · Physics 2026-02-27 Cynthia Ihuoma Osuala , Tanu Choudhary , Raju K. Biswas , Sudin Ganguly , Santanu K. Maiti

We investigate the finite temperature magnetic order at the edges of hexagonal CrN nanoribbons by using the density-functional theory combined with the density-matrix renormalization group method. Moreover, the spin-dependent transport in…

Mesoscale and Nanoscale Physics · Physics 2024-08-14 Michał Kupczyński , Jarosław Pawłowski , Aybey Mogulkoc , Mohsen Modarresi

We analyze numerically the thermal conductivity of carbon nanoribbons with ideal and rough edges. We demonstrate that edge disorder can lead to a suppression of thermal conductivity by several orders of magnitude. This effect is associated…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 Alexander V. Savin , Yuri S. Kivshar , Bambi Hu

We compute the terahertz third-order nonlinear conductance of metallic armchair graphene nanoribbons using time-dependent perturbation theory. Significant enhancement of the intrinsic third-order conductance over the result for instrinsic…

Mesoscale and Nanoscale Physics · Physics 2016-06-20 Yichao Wang , David R. Andersen

We study the thermoelectric performance of $90^0$-bent graphene nanoribbons containing nanopores for optimized design of multiple functional circuits including thermoelectric generators. We show that the thermal conductance of the…

Mesoscale and Nanoscale Physics · Physics 2021-08-11 Van-Truong Tran , Alessandro Cresti

We report on the temperature dependence of in-plane E2g and out of plane A1g Raman modes in high quality few layers MoS2 (FLMS) prepared using a high temperature vapor-phase method. The materials obtained were investigated using…

Mesoscale and Nanoscale Physics · Physics 2013-05-15 Satyaprakash Sahoo , Anand P. S. Gaur , Majid Ahmadi , Maxime J-F Guinel , Ram S. Katiyar

The electrical conductivity of a macroscopic assembly of nanomaterials is determined through a complex interplay of electronic transport within and between constituent nano-objects. Phonons play dual roles in this situation: their increased…

Mesoscale and Nanoscale Physics · Physics 2023-05-10 Davoud Adinehloo , Weilu Gao , Ali Mojibpour , Junichiro Kono , Vasili Perebeinos

This paper aims to investigate the spin dependent transport properties in hybrid nanoribbons, using the non equilibrium Greens function method. The effects of temperature gradient between the left and right leads, the ferromagnetic exchange…

Mesoscale and Nanoscale Physics · Physics 2021-07-29 Zainab Gholami , Farhad Khoeini

We report a technique for transferring large areas of the CVD-grown, few-layer MoS2 from the original substrate to another arbitrary substrate and onto holey substrates, in order to obtain free-standing structures. The method consists of a…

The thermophysical properties near the magnetic phase transition point is of great importance in the study of critical phenomenon. Low-dimensional materials are suggested to hold different thermophysical properties comparing to their bulk…

Mesoscale and Nanoscale Physics · Physics 2022-01-05 Qing Xi , Adili Ayiti , Lan Dong , Yuanyuan Wang , Jun Zhou , Xiangfan Xu

We report on thermal transport properties of wurtzite GaN in the presence of dislocations, by using molecular dynamics simulations. A variety of isolated dislocations in a nanowire configuration were analyzed and found to reduce…

This paper studies thermal transport in nanoporous silicon with a significant specific surface area. First, the equilibrium molecular dynamics approach was used to obtain the dependence of thermal conductivity on a specific surface area.…

Mesoscale and Nanoscale Physics · Physics 2023-05-15 Mykola Isaiev , Yuliia Mankovska , Vasyl Kuryliuk , David Lacroix

The thermal conductance in graphene nanoribbon with a vacancy or silicon point defect (substitution of C by Si atom) is investigated by non-equilibrium Green's function (NEGF) formalism combined with first-principle calculations…

Materials Science · Physics 2011-08-31 Jin-Wu Jiang , Bing-Shen Wang , Jian-Sheng Wang

Using non-equilibrium molecular dynamics method(NEMD), we have found that the thermal conductivity of multilayer graphene nanoribbons monotonously decreases with the increase of the number of layers, such behavior can be attributed to the…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 Hai-Yuan Cao , Zhi-Xin Guo , Hongjun Xiang , Xin-Gao Gong

Thermal phonon transport in square- and triangular-lattice Si phononic crystal (PnC) nanostructures with a period of 300 nm was investigated by measuring the thermal conductivity using micrometer-scale time-domain thermoreflectance. The…

Mesoscale and Nanoscale Physics · Physics 2015-05-22 Junki Nakagawa , Yuta Kage , Takuma Hori , Junichiro Shiomi , Masahiro Nomura

Nanostructured materials exhibit low thermal conductivity because of the additional scattering due to phonon-boundary interactions. As these interactions are highly sensitive to the mean free path (MFP) of a given phonon mode, MFP…

Materials Science · Physics 2016-01-13 Giuseppe Romano , Keivan Esfarjani , David A. Strubbe , David Broido , Alexie M. Kolpak

State-of-the-art fabrication and characterization techniques have been employed to measure the thermal conductivity of suspended, single-crystalline MoS2 and MoS2/hBN heterostructures. Two-laser Raman scattering thermometry was used…

Heterostructures comprising of silicon (Si), molybdenum disulfide (MoS${_2}$) and graphene are investigated with respect to the vertical current conduction mechanism. The measured current-voltage (I-V) characteristics exhibit temperature…

We study electronic transport in graphene nanoribbons with rough edges. We first consider a model of weak disorder that corresponds to an armchair ribbon whose width randomly changes by a single unit cell size. We find that in this case,…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 Ivar Martin , Ya. M. Blanter