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Using first-principles calculations based on density functional theory and non-equilibrium Green's functions, we characterized the effect of surface termination on the electronic transport properties of nanoscale Cu slabs. With ideal, clean…

Materials Science · Physics 2018-05-07 David M. Guzman , Alejandro Strachan

Using density functional theory, we study proton permeation through graphene and hexagonal boron nitride. We consider several factors influencing the barriers for permeation, including structural optimization, the role of the solvent,…

Mesoscale and Nanoscale Physics · Physics 2017-02-14 J. M. H. Kroes , A. Fasolino , M. I. Katsnelson

Recent studies showed that the in-plane and inter-plane thermal conductivities of two-dimensional (2D) MoS2 are low, posing a significant challenge in heat management in MoS2-based electronic devices. To address this challenge, we design…

Materials Science · Physics 2017-03-29 Xiangjun Liu , Junfeng Gao , Gang Zhang , Yong-Wei Zhang

Over the past few years, ionic conductors have gained a lot of attention given the possibility to implement them in various applications such as supercapacitors, batteries or fuel cells as well as for resistive memories. Especially, layered…

Increased power density in modern microelectronics has led to thermal management challenges which can cause degradation in performance and reliability. In many high-power electronic devices, the power consumption and heat removal are…

Mesoscale and Nanoscale Physics · Physics 2019-10-01 David B. Brown , Thomas L. Bougher , Xiang Zhang , Pulickel Ajayan , Baratunde A. Cola , Satish Kumar

Transition metal nitrides are a fascinating class of hard coating material that provide an excellent platform for investigating superconductivity and fundamental electron phonon interactions. In this work the structural morphological and…

We report on a modified transfer technique for atomically thin materials integrated onto microelectromechanical systems (MEMS) for studying strain physics and creating strain-based devices. Our method tolerates the non-planar structures and…

Ionic transport in nano- to sub-nano-scale pores is highly dependent on translocation barriers and potential wells. These features in the free-energy landscape are primarily the result of ion dehydration and electrostatic interactions. For…

Mesoscale and Nanoscale Physics · Physics 2020-12-01 Subin Sahu , Michael Zwolak

Two-dimensional (2-D) transition metal dichalcogenides (TMDs) have shown numerous interesting physical and chemical properties, making them promising materials for electronic, optoelectronic, and energy applications. Tuning thermal…

Materials Science · Physics 2016-09-07 Xiaokun Gu , Ronggui Yang

We review experimental and theoretical results on thermal transport in semiconductor nanostructures (multilayer thin films, core/shell and segmented nanowires), single- and few-layer graphene, hexagonal boron nitride, molybdenum disulfide…

Mesoscale and Nanoscale Physics · Physics 2018-06-13 Alexandr I. Cocemasov , Calina I. Isacova , Denis L. Nika

Two-dimensional (2D) crystals proved revolutionary soon after graphene was discovered in 2004. However, 2D amorphous materials only became accessible in 2020 and remain largely unexplored. In particular, the thermophysical properties of…

Two-dimensional (2d) nano-electronics, plasmonics, and emergent phases require clean and local charge control, calling for layered, crystalline acceptors or donors. Our Raman, photovoltage, and electrical conductance measurements combined…

Moir\'e superlattices formed in stacks of two or more 2D crystals with similar lattice structures have recently become excellent platforms to reveal new physics in low-dimensional systems. They are, however, highly sensitive to the angle…

Mesoscale and Nanoscale Physics · Physics 2024-11-15 Tianyu Zhang , Chengxin Xiao , Hongxia Xue , Wang Yao , Dong-Keun Ki

Monolayer transition metal dichalcogenides recently emerge as a new family of two-dimensional material potentially suitable for numerous applications in electronic and optoelectronic devices due to the presence of finite band gap. Many…

Materials Science · Physics 2014-01-21 Yongqing Cai , Zhaoqiang Bai , Hui Pan , Yuan Ping Feng , Boris I. Yakobson , Yong-Wei Zhang

The two-dimensional layer of molybdenum disulfide (MoS2) has recently attracted much interest due to its direct-gap property and potential applications in optoelectronics and energy harvesting. However, the synthetic approach to obtain high…

Combining first-principles density functional method and crystal structure prediction techniques, we report a series of hexagonal two-dimensional (2D) transition metal borides (TMBs) including Sc2B2, Ti2B2, V2B2, Cr2B2, Y2B2, Zr2B2, and…

Materials Science · Physics 2018-10-17 Tao Bo , Peng-Fei Liu , Juping Xu , Junrong Zhang , Fangwei Wang , Bao-Tian Wang

We report experimental and computational studies of thermal transport properties in hexagonal boron nitride (hBN) encapsulated molybdenum disulfide (MoS2) structure using refined optothermal Raman techniques, and reveal very high…

Mesoscale and Nanoscale Physics · Physics 2021-02-11 Fan Ye , Qingchang Liu , Baoxing Xu , Philip X. -L. Feng , Xian Zhang

Two-dimensional (2D) materials are a new class of materials with interesting physical properties and ranging from nanoelectronics to sensing and photonics. In addition to graphene, the most studied 2D material, monolayers of other layered…

Mesoscale and Nanoscale Physics · Physics 2013-06-25 Branimir Radisavljevic , Andras Kis

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…

Two dimensional (2D) materials such as graphene and transition metal dichalcogenides (TMDC) have received extensive research interests and investigations in the past decade. In this research, we report the first experimental measurement of…

Materials Science · Physics 2024-12-10 Jun Liu , Mengqi Fang , Eui-Hyeok Yang , Xian Zhang
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