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The deposition of a thin oxide layer at metal/semiconductor interfaces has been previously reported as a means of reducing contact resistance in 2D electronics. Using X-ray photoelectron spectroscopy with in-situ Ti deposition, we fabricate…

Materials Science · Physics 2019-10-10 Keren M. Freedy , David H. Olson , Patrick E. Hopkins , Stephen J. McDonnell

Using the first-principles calculations, we report the existence of the single-layer (SL) di-titanium oxide Ti$_2$O (labeled as MOene) that constructs a novel family of MXene based on transition metal oxides. This MOene material strongly…

Materials Science · Physics 2020-10-29 Luo Yan , Tao Bo , Bao-Tian Wang , Sergei Tretiak , Liujiang Zhou

Refractory high entropy alloys (RHEA) have been proven to have excellent mechanical properties with a potential use as protective thin films. However, the combination of high hardness with low friction and wear is a major challenge in the…

Materials Science · Physics 2021-12-03 Dawei Luo , Qing Zhou , Wenting Ye , Yue Ren , Christian Greiner , Yixuan He , Haifeng Wang

Experimental studies on moir\'e materials have predominantly focused on twisted hexagonal lattice with low-energy states near the $\Gamma$- or K-points, where the electronic dispersion is typically isotropic. In contrast, we introduce a…

Mesoscale and Nanoscale Physics · Physics 2025-07-30 Kejie Bao , Huan Wang , Zhaochen Liu , Jing Wang

Despite ample evidence of their influences on the transport properties of two-dimensional solids, the interrelations of reduced symmetry, electronic and thermal transport, have rarely being discussed in the context of thermoelectric…

Materials Science · Physics 2024-01-15 Himangshu Murari , Subhradip Ghosh

Substituting load-bearing tissues requires hydrogels with rapid processability, excellent mechanical strength and fatigue resistance. Conventional homogeneously polymerized hydrogels with short-chains/excessive branching exhibit low…

Chemical Physics · Physics 2025-06-19 Chendong Zhao , Yaxing Li , Qinglong He , Shangpeng Qin , Huiqi Xie , Chuanfang Zhang

The frictional and wear performance of molybdenum disulfide (MoS2) is significantly influenced by its intrinsic arrangement of crystals or crystallinity. In this study, we investigate the effect of crystallinty on coefficient of friction…

Materials Science · Physics 2025-06-03 Abhiram B R , Ilia Ponomarev , Tomas Polcar

Multicomponent transition metal carbides are promising for extreme-environment applications, but identifying compositions that are both synthesizable and hard remains challenging. We fine-tune the MACE machine-learned interatomic potential…

Materials Science · Physics 2026-05-29 Xin Liu , Anirudh Raju Natarajan

In this article, a detailed study of the recently synthesized MAX phase borides M2SB (M = Zr, Hf and Nb) has been performed via first principles technique. Investigation of mechanical hardness, elastic anisotropy, optical properties,…

Materials Science · Physics 2020-09-10 M. A. Ali , M. M. Hossain , M. M. Uddin , M. A. Hossain , A. K. M. A. Islam , S. H. Naqib

High-entropy alloys (HEAs) stand out between multi-component alloys due to their attractive microstructures and mechanical properties. In this investigation, molecular dynamics (MD) simulation and machine learning were used to ascertain the…

Materials Science · Physics 2024-02-05 Hoang-Giang Nguyen , Thanh-Dung Le

Layered two-dimensional (2D) materials exhibit unique properties, expanding opportunities in material design. We investigate MX$_2$ transition metal dichalcogenides (TMDCs) (M = Mo, W; X = S, Se, Te) in homo- and heterobilayers with…

Materials Science · Physics 2025-03-13 Yu-Hsiu Lin , William P. Comaskey , Jose L. Mendoza-Cortes

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…

Contact involving soft materials often combines dry adhesion, sliding friction, and large deformations. At the local level, these three aspects are rarely captured simultaneously, but included in the theoretical models by Mergel et al.…

Computational Engineering, Finance, and Science · Computer Science 2020-12-03 Janine C. Mergel , Julien Scheibert , Roger A. Sauer

High-entropy ceramics (HECs) are solid solutions of inorganic compounds with one or more Wyckoff sites shared by equal or near-equal atomic ratios of multi-principal elements. Material design and property tailoring possibilities emerge from…

Friction accounts for up to 30% of global energy consumption, underscoring the urgent need for superlubricity in advanced materials. Two-dimensional (2D) electrides are layered materials with cationic layers separated by 2D confined…

Materials Science · Physics 2025-11-12 Jingcheng Qi , Giuliana Materzanini , Gian-Marco Rignanese , Maria Clelia Righi , Junjie Wang

Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for application in novel strain-engineered and flexible…

Materials Science · Physics 2016-01-18 Junwen Li , Nikhil V. Medhekar , Vivek B. Shenoy

Recently two-dimensional (2D) transition metal carbides and nitrides (MXenes) have gained significant attention in electronics and electrochemical energy conversion and storage devices where the heat production significantly affects the…

Materials Science · Physics 2019-10-22 Hamed Gholivand , Shadi Fuladi , Zahra Hemmat , Amin Salehi-Khojin , Fatemeh Khalili-Araghi

Man-made artificial graphene has attracted significant attention in the past few years due to the possibilities to construct designer Dirac fermions with unexpected topological properties and applications in nanoelectronics. Here we use a…

Materials Science · Physics 2014-12-10 Matti Ropo , Sami Paavilainen , Jaakko Akola , Esa Räsänen

A new type of compositionally complex (medium- or high-entropy) M5Si3 silicides is synthesized. Both (V1/5Cr1/5Nb1/5Ta1/5W1/5)5Si3 and (Ti1/5Zr1/5Nb1/5Mo1/5Hf1/5)5Si3 form single-phase homogenous solid solutions. Notably,…

Materials Science · Physics 2021-12-16 Sashank Shivakumar , Mingde Qin , Dawei Zhang , Chongze Hu , Qizhang Yan , Jian Luo

For the first time, this study shows that distortion in a crystal structure due to magnetic effect is possible in a lattice with extreme chemical disorder. The multicomponent equimolar transition metal oxide (ME TMO), (Co,Cu,Mg,Ni,Zn)O,…