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Related papers: Redox and Molecular Diffusion in 2D van der Waals …

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Nanoscale control of charge doping in two-dimensional (2D) materials permits the realization of electronic analogs of optical phenomena, relativistic physics at low energies, and technologically promising nanoelectronics. Electrostatic…

Honeycomb layered oxides are a novel class of nanostructured materials comprising alkali or alkaline earth metals intercalated into transition metal slabs. The intricate honeycomb architecture and layered framework endows this family of…

Materials Science · Physics 2021-10-01 Godwill Mbiti Kanyolo , Titus Masese

As the continuing down-scaling of field-effect transistors (FETs) in more-than-Moore integrated circuits, finding new functional two-dimensional (2D) materials with a higher dielectric constant (high-k) serve as gate dielectrics is…

Materials Science · Physics 2022-12-06 Yue Hu , Jingwen Jiang , Peng Zhang , Fuxin Guan , Da Li , Zhengfang Qian , Pu Huang , Xiuwen Zhang

We performed high-throughput density functional theory calculations of optical matrix elements between band edges across a diverse set of non-magnetic two-dimensional monolayers with direct band gaps. Materials were ranked as potential…

Materials Science · Physics 2025-08-15 A. F. Gómez-Bastidas , Karthik Sriram , A. C. Garcia-Castro , Oleg Rubel

Material properties depend sensitively on picometer scale atomic displacements introduced by local chemical fluctuations. Direct real-space, high spatial-resolution measurements of this compositional variation and corresponding distortion…

Materials Science · Physics 2015-02-17 Xiahan Sang , Everett D. Grimley , Changning Niu , Douglas L. Irving , James M. LeBeau

As the demand for nuclear energy grows, enriching deuterium from hydrogen mixtures has become more important. However, traditional methods are either very energy-intensive because they require extremely cold temperatures, or they don't…

Materials Science · Physics 2025-02-13 Saini Lalita , Rathi Aparna , Kaushik Suvigya , Li-Hsien Yeh , Kalon Gopinadhan

The electronic structure of two-dimensional (2D) semiconductors can be significantly altered by screening effects, either from free charge carriers in the material itself, or by environmental screening from the surrounding medium. The…

The electron-hole liquid, which features a macroscopic population of correlated electrons and holes, may offer a path to room temperature semiconductor devices that harness collective electronic phenomena. We report on the gas-to-liquid…

Mesoscale and Nanoscale Physics · Physics 2019-02-05 Trevor B. Arp , Dennis Pleskot , Vivek Aji , Nathaniel M. Gabor

In charged water microdroplets, which occur in nature or in the lab upon ultrasonication or in electrospray processes, the thermodynamics for reactive chemistry can be dramatically altered relative to the bulk phase. Here, we provide a…

Chemical Physics · Physics 2024-05-06 Joseph P. Heindel , R. Allen LaCour , Teresa Head-Gordon

Two-dimensional (2D) materials display nanoscale dynamic ripples that significantly impact their properties. Defects within the crystal lattice are the elementary building blocks to tailor the material's morphology. While some studies have…

Materials Science · Physics 2025-03-11 Fabian L. Thiemann , Camille Scalliet , Erich A. Müller , Angelos Michaelides

DFT is a valuable tool for calculating adsorption energies toward designing materials for hydrogen storage. However, dispersion forces being absent from the theory, it remains unclear how the consideration of van der Waals (vdW)…

Chemical Physics · Physics 2021-09-16 Genki I. Prayogo , Hyeondeok Shin , Anouar Benali , Ryo Maezono , Kenta Hongo

Hydrogen is a crucial source of green energy and has been extensively studied for its potential usage in fuel cells. The advent of two-dimensional crystals (2DCs) has taken hydrogen research to new heights, enabling it to tunnel through…

Materials Science · Physics 2023-08-08 Ismail Eren , Yun An , Agnieszka B. Kuc

Since the advent of graphene, two-dimensional (2D) materials become very attractive and there is growing interest to explore new 2D beyond graphene. Here, through density functional theory (DFT) calculations, we predict 2D wide-band-gap…

Mesoscale and Nanoscale Physics · Physics 2016-10-31 Xue-Jing Zhang , Bang-Gui Liu

Solid-liquid phase transitions are fundamental physical processes, but atomically-resolved microscopy has yet to capture both the solid and liquid dynamics for such a transition. We have developed a new technique for controlling the melting…

Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are…

Materials Science · Physics 2018-12-26 Tyler J. Smart , Feng Wu , Marco Govoni , Yuan Ping

The integration of two-dimensional (2D) materials with functional non-2D materials such as metal oxides is of key importance for many applications, but underlying mechanisms for such non-2D/2D interfacing remain largely elusive at the…

Materials Science · Physics 2019-09-04 Bernhard C. Bayer , Adrianus I. Aria , Dominik Eder , Stephan Hofmann , Jannik C. Meyer

The emergence of graphene and two-dimensional van der Walls materials renewed interest to investigation of the low-frequency noise in the low-dimensional systems. The layered van der Waals materials offers unique opportunities for studying…

Mesoscale and Nanoscale Physics · Physics 2022-06-24 Alexander A. Balandin , Sergey Rumyantsev

We investigate the electronic properties of a graphene and $\alpha$-ruthenium trichloride (hereafter RuCl$_3$) heterostructure, using a combination of experimental and theoretical techniques. RuCl$_3$ is a Mott insulator and a Kitaev…

Layered two-dimensional materials like graphene are highly appealing for lithium battery applications owing to their high surface-volume ratios. However, a critical issue that limits their practical applications is the confined motion of…

Materials Science · Physics 2019-01-23 Andrey Kistanov , Devesh Kripalani , Yongqing Cai , Sergey Dmitriev , Kun Zhou , Yong-Wei Zhang

The ability to directly observe electronic band structure in modern nanoscale field-effect devices could transform understanding of their physics and function. One could, for example, visualize local changes in the electrical and chemical…