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Atomically thin materials, like semiconducting transition metal dichalcogenides (S-TMDs), are highly sensitive to the environment. This opens up an opportunity to externally control their properties by changing their surroundings. We…
In this paper, we examined the effects of proximity-induced interactions such as Rashba spin-orbit coupling (SOC) and effective Zeeman fields (EZFs) on the optical spectrum of $n$-type and $p$-type monolayer (ML)-MoS$_2$. The optical…
Layered inorganic materials, such as the transition metal dichalcogenides (TMDs), have attracted much attention due to their exceptional electronic and optical properties. Reliable synthesis and characterization of these materials must be…
The strain-induced magnetism is observed in single-layer MoS2 with atomic single vacancies from density functional calculations. Calculated magnetic moment is no less than 2muB per vacancy defect. The straininduced band gap closure is…
When two or more atoms bind to a solid surface, the substrate can mediate an interaction between them. In this paper, we use density-functional theory to quantify the substrate-mediated pair interaction between two adatoms on a…
Twisted van der Waals heterostructures unravel a new platform to study strongly correlated quantum phases. The interlayer coupling in these heterostructures is sensitive to twist angles ($\theta$) and key to controllably tune several exotic…
Based on the first-principles plane wave calculations, we studied the functionalization of the two-dimensional single layer MoS$_2$ structure via adatom adsorption and vacancy defect creation. Minimum energy adsorption sites are determined…
Strong electron-phonon interaction which limits electronic mobility of semiconductors can also have significant effects on phonon frequencies. The latter is the key to the use of Raman spectroscopy for nondestructive characterization of…
We systematically study the high-resolution and polarized Raman spectra of multilayer (ML) MoTe2. The layer-breathing (LB) and shear (C) modes are observed in the ultralow-frequency region, which are used to quantitatively evaluate the…
Doping MoS$_2$ with Re is known to alter the electronic, structural, and tribological properties. Re-doped MoS$_2$ has been previously mainly studied in monolayer or few-layer form, but can also be relevant for applications in many-layer or…
The nature of the interface in lateral heterostructures of 2D monolayer semiconductors including its composition, size, and heterogeneity critically impacts the functionalities it engenders on the 2D system for next-generation…
In the present work, the electronic and vibrational properties of both pristine V$_2$C and fully-terminated V$_2$CT$_2$ (where T = F, O, OH) 2D monolayers are investigated using density functional theory. Firstly, the atomic structures of…
We report on transport properties of the controllable large area MoSO/Reduced graphene oxide(RGO) heterostructures electrodeposited on FTO substrates and its comparision with theoretical calculations on MoSo/Gr. I-V characteristics of the…
In this paper, the atomic layer deposition (ALD) of ultra-thin films (<4 nm) of $Al_{2}O_{3}$ and $HfO_{2}$ on Au-supported monolayer (1L) $MoS_{2}$ is investigated, providing an insight on the nucleation mechanisms in the early stages of…
Applications like high density information storage, neuromorphic computing, nanophotonics, etc. require ultra-thin electronic devices which can be controlled with applied electric field. Of late, atomically thin two-dimensional (2D)…
In ReS$_2$ a layer-independent direct band-gap of 1.5 eV implies a potential for its use in optoelectronic applications. ReS$_2$ crystallizes in the 1T$^{\prime}$-structure which leads to anisotropic physical properties and whose…
We perform an optical spectroscopy study to investigate the properties of different artificial MoS$_2$ bi- and trilayer stacks created from individual monolayers by a deterministic transfer process. These twisted bi- and trilayers differ…
We report on the modulation of tunneling resistance in MoS2 monolayers by nano-indentation using an atomic force microscope (AFM). The resistance between the conductive AFM tip and the bottom electrode separated by a monolayer MoS2 is…
The phonon band structure of monolayer MoS2 is characteristic for a large energy gap between acoustic and optical branches, which protects the vibration of acoustic modes from being scattered by optical phonon modes. Therefore, the phonon…
Monolayer molybdenum disulphide (MoS2) is a promising two-dimensional direct-bandgap semiconductor with potential applications in atomically thin and flexible electronics. An attractive insulating substrate or mate for MoS2 (and related…