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Intercalation (ic) of metal atoms into the van der Waals (vdW) gap of layered materials constitutes a facile strategy to create new materials whose properties can be tuned via the concentration of the intercalated atoms. Here we perform…

Materials Science · Physics 2023-11-21 Stefano Americo , Sahar Pakdel , Kristian Sommer Thygesen

The atomic dipole polarizability, $\alpha$, and the van der Waals (vdW) radius, $R_{\rm vdW}$, are two key quantities to describe vdW interactions between atoms in molecules and materials. Until now, they have been determined independently…

Chemical Physics · Physics 2018-11-07 Dmitry V. Fedorov , Mainak Sadhukhan , Martin Stöhr , Alexandre Tkatchenko

The interlayer gallery between two adjacent sheets of van der Waals materials is expected to modify properties of atoms and molecules confined at the atomic interfaces. Here, we directly image individual hydrogen atom intercalated between…

Mesoscale and Nanoscale Physics · Physics 2018-02-14 Wen-Xiao Wang , Yi-Wen Wei , Si-Yu Li , Xinqi Li , Xiaosong Wu , Ji Feng , Lin He

Van der Waals (vdW) layered materials have drawn tremendous interests due to their unique properties. Atom intercalation in the vdW gap of layered materials can tune their electronic structure and generate unexpected properties. Here we…

Materials Science · Physics 2023-04-28 Lin Gao , Mian Li , Binjie Hu , Qing Huang

Diffusion in an evolving environment is studied by continuos-time Monte Carlo simulations. Diffusion is modelled by continuos-time random walkers on a lattice, in a dynamic environment provided by bubbles between two one-dimensional…

Soft Condensed Matter · Physics 2010-11-22 Janne Juntunen , Juha Merikoski

Sparse matter is characterized by regions with low electron density and its understanding calls for methods to accurately calculate both the van der Waals (vdW) interactions and other bonding. Here we present a first-principles density…

Materials Science · Physics 2010-06-15 Elisa Londero , Elsebeth Schroder

Vertical stacking of two-dimensional (2D) crystals, such as graphene and hexagonal boron nitride, has recently lead to a new class of materials known as van der Waals heterostructures (vdWHs) with unique and highly tunable electronic…

Mesoscale and Nanoscale Physics · Physics 2023-07-19 Kirsten Andersen , Simone Latini , Kristian S. Thygesen

Van der Waals layered materials, such as transition metal dichalcogenides (TMDs), are an exciting class of materials with weak interlayer bonding which enables one to create van der Waals heterostructures (vdWH). Recent work has shown that…

Conventional photocurrents at a p-n junction depend on macroscopic built-in fields and are typically insensitive to the microscopic details of a crystal's atomic configuration. Here we demonstrate how atomic configuration can control…

Mesoscale and Nanoscale Physics · Physics 2021-04-27 Ying Xiong , Li-kun Shi , Justin C. W. Song

Ubiquitous Van der Waals interactions between atoms and molecules are important for many molecular and solid structures. These systems are often studied from first principles using the Density Functional Theory (DFT). However, the commonly…

Materials Science · Physics 2009-11-13 Pier Luigi Silvestrelli

Two-dimensional layered materials, such as transition metal dichalcogenides (TMDs), possess intrinsic van der Waals gap at the layer interface allowing for remarkable tunability of the optoelectronic features via external intercalation of…

Materials Science · Physics 2024-11-25 Srihari M. Kastuar , Christopher Rzepa , Srinivas Rangarajan , Chinedu E. Ekuma

The optoelectronic properties of atomically thin transition-metal dichalcogenides are strongly correlated with the presence of defects in the materials, which are not necessarily detrimental for certain applications. For instance, defects…

We demonstrate a method for measuring atom-surface interactions using transmission spectroscopy of thermal vapors confined in a wedged nano-cell. The wedged shape of the cell allows complementary measurements of both the bulk atomic vapor…

Filamentary objects such as nano-wires, nanotubes and DNA are of current interest in physics, nanoscience, chemistry, biology and medicine. They can interact via strong, exceptionally long-ranged many-object van der Waals (vdW, dispersion)…

Materials Science · Physics 2026-02-24 Subhojit Pal , John F. Dobson , Mathias Boström

Van-der-Waals heterostructures show many intriguing phenomena including ultrafast charge separation following strong excitonic absorption in the visible spectral range. However, despite the enormous potential for future applications in the…

Mesoscale and Nanoscale Physics · Physics 2022-01-05 R. Krause , S. Aeschlimann , M. Chavez-Cervantes , R. Perea-Causin , S. Brem , E. Malic , S. Forti , F. Fabbri , C. Coletti , I. Gierz

Van der Waals (vdW) materials exhibit a variety of states that can be switched with low power at low temperatures, offering a viable cryogenic "flash memory" required for the classical control electronics for solid-state quantum information…

van der Waals (vdW) interaction plays a fundamental role in the surface-molecules related phenomena. Tuning of the correlated charge fluctuation in the vdW complex is a plausible way to modulate the molecules interaction at the atomic…

Mesoscale and Nanoscale Physics · Physics 2016-01-20 Manoharan Muruganathan , Jian Sun , Tomonori Imamura , Hiroshi Mizuta

Understanding the physics underlying energy dissipation is necessary for the effective thermal management of devices based on two-dimensional (2D) materials and requires insights into the interplay between heat generation and diffusion in…

Mesoscale and Nanoscale Physics · Physics 2020-05-08 Zhun-Yong Ong , Myung-Ho Bae

We report a post-growth aging mechanism of Bi$_2$Te$_3$(111) films with scanning tunneling microscopy in combination with density functional theory calculation. It is found that a monolayered structure with a squared lattice symmetry…

Materials Science · Physics 2017-04-05 Zhi-Wen Wang , Wen-Kai Huang , Kai-Wen Zhang , Da-Jun Shu , Mu Wang , Shao-Chun Li

Van der Waals (vdW) heterostructures consisting of two dimensional materials offer a platform to obtain material by design and are very attractive owing to novel electronic states. Research on 2D van der Waals heterostructures (vdWH) has so…

Mesoscale and Nanoscale Physics · Physics 2017-05-11 Kyle Ray , Alexander E. Yore , Tong Mou , Sauraj Jha , K. K. H. Smithe , Bin Wang , Eric Pop , A. K. M. Newaz