Related papers: An atomistic model for the charge distribution in …
In an attempt to quantify the role of polydispersity in colloidal suspensions, we present an efficient implementation of the renormalized jellium model for a mixture of spherical charged colloids. The different species may have different…
We present an extension to the Poisson-Boltzmann model where the dipolar features of solvent molecules are taken explicitly into account. The formulation is derived at mean-field level and can be extended to any order in a systematic…
The electronic properties of ultrathin crystals of molybdenum disulfide consisting of N = 1, 2, ... 6 S-Mo-S monolayers have been investigated by optical spectroscopy. Through characterization by absorption, photoluminescence, and…
We introduce the Poisson-Boltzmann cell model for spherical colloidal particles with a heterogeneous surface charge distribution. This model is obtained by generalizing existing cell models for mixtures of homogeneously charged colloidal…
Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its interesting electronic properties. Recent experimental advances confirm the possibility of further tuning the electronic properties of MoS2 through the fabrication of…
We investigate the ground-state properties of monolayer MoS$_2$ incorporating the Coulomb interaction together with a short-range intervalley interaction between charged particles between two valleys within the Hartree-Fock approximation.…
A microemulsion of decane droplets stabilized by a non-ionic surfactant film is progressively charged by substitution of a non-ionic surfactant molecule by a cationic surfactant. We check that the microemulsion droplets remain identical…
Imaging the charge distributions and structures of molecules and clusters will promote the understanding of the dynamics of the quantum system. Here, we report a method by using an Ar atom as a tip to probe the charge distributions of…
The Moliere theory of multiple Coulomb scattering is modified to take into account difference between scattering off atomic nuclei and electron. A simple analytical expression for angular distribution of charged particles passing through a…
We performed density functional theory (DFT) calculations for a bi-layered heterostructure combining a graphene layer with a MoS2 layer with and without intercalated Li atoms. Our calculations demonstrate the importance of the van der Waals…
The metastable 1$T'$ phase of layered transition metal dichalcogenides has recently attracted considerable interest due to electronic properties, possible topological electronic phases and catalytic activity. We report a comprehensive…
Doping plays a key role in functionalizing semiconductor devices, yet traditional chemical approaches relying on foreign-atom incorporation suffer from doping-asymmetry, pronounced lattice disorder and constrained spatial resolution. Here,…
We investigate the dielectrophoretic motion of charge-neutral, polarizable nanocolloids through molecular dynamics simulations. Comparison to analytical results derived for continuum systems shows that the discrete charge distributions on…
Self-assembled topological structures of post-processed two-dimensional materials exhibit novel physical properties distinct from those of their parent materials. Herein, the critical role of desulphurization on self-assembled topological…
Here, the synthesis of Molybdenum Disulphide (MoS2) flakes by means of anodic atmospheric arc discharge is reported for the first time. The vertical electrode configuration consisted of a compound anode (hollow graphite anode filled with…
We demonstrate that the electrical property of a single layer molybdenum disulfide (MoS2) can be significantly tuned from semiconducting to insulating regime via controlled exposure to oxygen plasma. The mobility, on-current and resistance…
Charge transfer among individual atoms in a molecule is the key concept in the modern electronic theory of chemical bonding. In this work, we defined an atomic region between two atoms by Slater orbital exponents of valence electrons and…
Superconductivity occurs in electrochemically doped molybdenum dichalcogenides samples thicker than four layers. While the critical temperature (Tc) strongly depends on the field effect geometry (single or double gate) and on the sample…
Electrostatic potentials strongly affect molecular energy levels and charge states, providing the fascinating opportunity of molecular gating. Their influence on molecular vibrations remains less explored. Here, we investigate…
A monolayer of molecules or quantum dots sandwiched between electrodes can be driven out of equilibrium by the application of a bias voltage between the electrodes. We study charge ordering, i.e., the spontaneous formation of a charge…