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Two dimensional transition metal dichalcogenides appear as good candidates for gas sensing and catalysis. Here, by means of density functional theory, we characterize the adsorption and dissociation of selected diatomic molecules (CO,…

Materials Science · Physics 2022-01-06 Raúl Bombín , Maite Alducin , Iñaki Juaristi

We derive a dielectric function tensor model approach to render the optical response of monoclinic and triclinic symmetry materials with multiple uncoupled infrared and farinfrared active modes. We apply our model approach to monoclinic…

We propose an accurate tight-binding parametrization for the band structure of MoS$_2$ monolayers near the main energy gap. We introduce a generic and straightforward derivation for the band energies equations that could be employed for…

Mesoscale and Nanoscale Physics · Physics 2015-09-02 E. Ridolfi , D. Le , T. S. Rahman , E. R. Mucciolo , C. H. Lewenkopf

Analytical low-current and numerical high--current models for the impedance of a hydrogen--fed anode of an anode--supported button SOFC are developed. The models use the dusty gas transport model for the binary H$_2$--H$_2$O mixture. We…

Chemical Physics · Physics 2025-01-15 Andrei Kulikovsky

The two-dimensional M$_2$Z$_4$ materials are proposed as suitable replacements for silicon channels in field-effect transistors (FETs). In the present work, the ThSi$_2$N$_4$ monolayer from the family, with the very appropriate electron…

Mesoscale and Nanoscale Physics · Physics 2025-07-10 Maryam Mirzaei Farshmi , Seyedeh Ameneh Bahadori , Zahra Shomali

Monolayer WSe2 is a two dimensional (2D) semiconductor with a direct bandgap, and it has been recently explored as a promising material for electronics and optoelectronics. Low field effect mobility is the main constraint preventing WSe2…

Materials Science · Physics 2016-05-02 Bilu Liu , Yuqiang Ma , Anyi Zhang , Liang Chen , Ahmad N. Abbas , Yihang Liu , Chenfei Shen , Haochuan Wan , Chongwu Zhou

Charge density waves in transition metal dichalcogenides have been intensively studied for their close correlation with Mott insulator, charge-transfer insulator, and superconductor. VTe2 monolayer recently comes into sight because of its…

Strongly Correlated Electrons · Physics 2020-05-13 Qiucen Wu , Zhongjie Wang , Yucheng Guo , Fang Yang , Chunlei Gao

We investigate the design of steep-slope metal-oxide-semiconductor field-effect transistors (MOSFETs) exploiting monolayers of transition metal dihalides as channel materials. With respect to other previously proposed steep-slope…

Mesoscale and Nanoscale Physics · Physics 2021-06-24 Demetrio Logoteta , Jiang Cao , Marco Pala , Paolo Marconcini , Giuseppe Iannaccone

A simplified transient energy-transport system for semiconductors subject to mixed Dirichlet-Neumann boundary conditions is analyzed. The model is formally derived from the non-isothermal hydrodynamic equations in a particular vanishing…

Analysis of PDEs · Mathematics 2012-06-26 Ansgar Jüngel , René Pinnau , Elisa Röhrig

Ultrafast charge transfer processes provide a facile way to create interlayer excitons in directly contacted transition metal dichalcogenide (TMD) layers. More sophisticated heterostructures composed of TMD/hBN/TMD enable new ways to…

Mesoscale and Nanoscale Physics · Physics 2023-01-12 Yoseob Yoon , Zuocheng Zhang , Ruishi Qi , Andrew Y. Joe , Renee Sailus , Kenji Watanabe , Takashi Taniguchi , Sefaattin Tongay , Feng Wang

Monolayer Molybdenum Disulfide (MoS2) with a direct band gap of 1.8 eV is a promising two-dimensional material with a potential to surpass graphene in next generation nanoelectronic applications. In this letter, we synthesize monolayer MoS2…

Mesoscale and Nanoscale Physics · Physics 2013-06-18 Han Liu , Mengwei Si , Sina Najmaei , Adam T. Neal , Yuchen Du , Pulickel M. Ajayan , Jun Lou , Peide D. Ye

We demonstrate the integration of a thin BaTiO$_3$ (BTO) membrane with monolayer MoSe$_2$ in a dual gate device that enables in-situ manipulation of the BTO ferroelectric polarization with a voltage pulse. While two-dimensional (2D)…

To calculate the conductivity of a material having full knowledge of its composition is a reasonably simple task. To do the same in reverse, i.e., to find information about the composition of a device from its conductivity response alone,…

Disordered Systems and Neural Networks · Physics 2021-07-06 F. R. Duarte , S. Mukim , A. Molina-Sánchez , Tatiana G. Rappoport , M. S. Ferreira

Transition metal dichalcogenide (TMD) monolayers attract great attention due to their specific structural, electronic and mechanical properties. The formation of their lateral heterostructures allows a new degree of flexibility in…

Materials Science · Physics 2020-09-29 Sadegh Imani Yengejeh , William Wen , Yun Wang

A model is developed for a detailed investigation of the current flowing through a cylindrical nanosize MOSFET with a close gate electrode. The quantum mechanical features of the lateral charge transport are described by Wigner distribution…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 S. N. Balaban , E. P. Pokatilov , V. M. Fomin , V. N. Gladilin , J. T. Devreese , W. Magnus , W. Schoenmaker , M. Van Rossum , B. Soree

Semiconducting transition metal dichalcogenides (TMDs) are desired as active materials in optoelectronic devices due to their strong excitonic effects. They can be exfoliated from their parent layered materials with low-cost and for mass…

Motivated by classical communications engineering, early works in molecular communication (MC) largely adopted established modeling and signal processing concepts from wireless electromagnetic communication systems. In the context of the…

Information Theory · Computer Science 2026-04-03 Timo Jakumeit , Lukas Brand , Josep M. Jornet , Robert Schober , Maximilian Schäfer , Sebastian Lotter

Two-dimensional (2D) layered transition metal dichalcogenides (TMDs) have emerged as promising materials for electronic, optoelectronic, and valleytronic applications. Recent work suggests drastic changes of the band gap and exciton binding…

Mesoscale and Nanoscale Physics · Physics 2017-08-02 Eric Parzinger , Martin Hetzl , Ursula Wurstbauer , Alexander W. Holleitner

Poisson-Boltzmann theory is the cornerstone for soft matter electrostatics. We provide novel exact analytical solutions to this non-linear mean-field approach, for the diffuse layer of ions in the vicinity of a planar or a cylindrical…

Soft Condensed Matter · Physics 2020-01-29 L. Samaj , E. Trizac

A model of mobile, charged ion channels in a fluid membrane is studied. The channels may switch between an open and a closed state according to a simple two-state kinetics with constant rates. The effective electrophoretic charge and the…

Soft Condensed Matter · Physics 2009-11-07 Stephan C. Kramer , Reiner Kree