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The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…

Materials Science · Physics 2019-05-09 Kyeong Tae Kang , Jeongmin Park , Dongseok Suh , Woo Seok Choi

Carbon's versatility allows it to form diverse structures with unique properties, driven by its moderate electronegativity, small ionic radius, and ability to adopt \textit{sp}, \textit{sp\textsuperscript{2}}, and…

While graphene oxide (GO) is representative of a disordered phase of oxocarbons with lackluster electronic properties, the coexistence of ordered, stoichiometric solid-state carbon oxides with graphene brings renewed momentum to the…

Materials Science · Physics 2024-01-23 N. Hassani , A. Movafegh-Ghadirli , Z. Mahdavifar , F. M. Peeters , M. Neek-Amal

While crystalline two-dimensional materials have become an experimental reality during the past few years, an amorphous 2-D material has not been reported before. Here, using electron irradiation we create an sp2-hybridized one-atom-thick…

Materials Science · Physics 2011-03-22 J. Kotakoski , A. V. Krasheninnikov , U. Kaiser , J. C. Meyer

To design and discover new materials for next-generation energy materials such as solid-oxide fuel cells (SOFCs), a fundamental understanding of their ionic properties and behaviors is essential. The potential applicability of a material…

Materials Science · Physics 2014-09-01 Chandrima Mitra , Tricia Meyer , Ho Nyung Lee , Fernando A. Reboredo

Dynamic lateral transport of lipids, proteins, and self-assembled structures in biomembranes plays crucial roles in diverse cellular processes. In this study, we perform a coarse-grained molecular dynamics simulation on a vesicle composed…

Soft Condensed Matter · Physics 2023-11-27 Hiroaki Ito , Naofumi Shimokawa , Yuji Higuchi

Recent nanofabrication technologies have miniaturized optical and mechanical resonators, and have led to a variety of novel optomechanical systems in which optical and mechanical modes are strongly coupled. Here we hybridize an…

We study in-plane lateral heterostructures of commensurate transition-metal dichalcogenides, such as MoS$_{2}$-WS$_{2}$ and MoSe$_{2}$-WSe$_{2}$, and find interfacial and edge states that are highly localized to these regions of the…

Mesoscale and Nanoscale Physics · Physics 2019-01-04 Oscar Ávalos-Ovando , Diego Mastrogiuseppe , Sergio E. Ulloa

Nano-materials, such as metal-organic frameworks, have been considered to capture CO$_2$. However, their application has been limited largely because they exhibit poor selectivity for flue gases and low capture capacity under low pressures.…

Avalanches are rapid cascades of rearrangements driven by cooperative flipping of hysteretic local elements. Here we show that flipping dynamics and race conditions -- where multiple elements become unstable simultaneously -- give rise to…

Soft Condensed Matter · Physics 2025-11-18 Lishuai Jin , Martin van Hecke

We report density-functional based molecular dynamics simulations, that show that, with increasing pressure, liquid carbon undergoes a gradual transformation from a liquid with local three-fold coordination to a 'diamond-like' liquid. We…

Other Condensed Matter · Physics 2009-11-10 Luca M. Ghiringhelli , Jan H. Los , Evert Jan Meijer , A. Fasolino , Daan Frenkel

Oxygen resonant inelastic X-ray scattering has become a prominent tool for unveiling the electronic structure of solids, especially redox mechanisms in Li-rich cathode materials. A number of studies have observed a strong absorption feature…

Chemical Physics · Physics 2025-03-19 Maxwell D. Radin , Alexander Kunitsa

We study the interface between carbon nanotubes (CNTs) and surface-deposited titanium using electron microscopy and photoemission spectroscopy, supported by density functional calculations. Charge transfer from the Ti atoms to the nanotube…

Oxygen vacancies are increasingly recognized to play a role in phenomena observed at transition-metal oxide interfaces. Here we report a study of SrRuO3/La0.7Sr0.3MnO3 (SRO/LSMO) interfaces using a combination of quantitative…

We report the realization of dynamical localization in a strongly driven two-mode optomechanical system consisting of two coupled cantilevers. Due to the coupling, mechanical oscillations can transport between the cantilevers. However, by…

We study the dynamics of paramagnetic molecular superrotors in an external magnetic field. Optical centrifuge is used to create dense ensembles of oxygen molecules in ultra-high rotational states. It is shown for the first time, that the…

Quantum Physics · Physics 2015-06-10 A. A. Milner , A. Korobenko , J. Floß , I. Sh. Averbukh , V. Milner

Spatially indirect electron-hole exciton condensates stabilized by interlayer Fock exchange interactions have been predicted in systems containing a pair of two-dimensional semiconductor or semimetal layers separated by a thin tunnel…

Mesoscale and Nanoscale Physics · Physics 2015-12-16 Xuehao Mou , Leonard F. Register , Allan H. MacDonald , Sanjay K. Banerjee

Ab initio simulations are combined with in situ infrared spectroscopy to unveil the molecular transport of H$_2$, CO$_2$, and H$_2$O in the metal organic framework MOF-74-Mg. Our study uncovers---at the atomistic level---the major factors…

Materials Science · Physics 2013-01-15 Pieremanuele Canepa , Nour Nijem , Yves J. Chabal , T. Thonhauser

We investigate by Molecular-Dynamics simulations the fast mobility - the rattling amplitude of the particles temporarily trapped by the cage of the neighbors - in mildly supercooled states of dense molecular (linear trimers) and atomic…

Fluid Dynamics · Physics 2016-05-04 S. Bernini , F. Puosi , D. Leporini

Coulomb coupling between proximal layers in graphene heterostructures results in efficient energy transfer between the layers. We predict that, in the presence of correlated density inhomogeneities in the layers, vertical energy transfer…

Mesoscale and Nanoscale Physics · Physics 2013-04-24 Justin C. W. Song , Leonid S. Levitov