Tunable dielectric response of transition metals dichalcogenides MX2 (M= Mo, W; X= S, Se, Te): Effect of quantum confinement

A Kumar, PK Ahluwalia - Physica B: Condensed Matter, 2012 - Elsevier
The first principle calculations have been performed to study the influence of number of
layers on the dielectric properties of dichalcogenides of Mo and W for in-plan (E⊥ c) as well …

New insight into poor flotation recovery of fine molybdenite: An overlooked phase transition from 2H to 1T MoS2

D Lei, W Gui, X Zhao, X Tian, W Xiao, J Xue… - Separation and …, 2023 - Elsevier
Fine molybdenite is the stubborn part for molybdenite recovery during flotation process,
which causes serious resource waste and financial loss. Our recent discovery of MoS 2 …

A density functional study of strong local magnetism creation on MoS 2 nanoribbon by sulfur vacancy

R Shidpour, M Manteghian - Nanoscale, 2010 - pubs.rsc.org
In this study a low-width MoS2 ribbon has been used for probing the electronic structure and
local magnetic moment near vacancies. A theoretical study with the full-potential Density …

Electronic and elastic properties of MoS2

L Wei, C Jun-fang, H Qinyu, W Teng - Physica B: Condensed Matter, 2010 - Elsevier
The electronic structures and elastic properties of molybdenum disulfide are studied using
first-principles calculations. The energy band structure and density of state (DOS) of MoS2 at …

Hydrogenation-induced edge magnetization in armchair MoS2 nanoribbon and electric field effects

F Ouyang, Z Yang, X Ni, N Wu, Y Chen… - Applied Physics …, 2014 - pubs.aip.org
We performed density functional theory study on the electronic and magnetic properties of
armchair MoS 2 nanoribbons (AMoS 2 NR) with different edge hydrogenation. Although …

Nanometer-Sized MoS2 Clusters on Graphene Flakes for Catalytic Formic Acid Decomposition

VO Koroteev, DA Bulushev, AL Chuvilin… - ACS …, 2014 - ACS Publications
MoS2 was deposited on graphene flakes via decomposition of MoS3 in vacuum at different
temperatures (500–800° C). The materials obtained were tested for catalytic formic acid …

Prediction of structural and metal-to-semiconductor phase transitions in nanoscale , , and other transition metal dichalcogenide zigzag ribbons

F Güller, AM Llois, J Goniakowski, C Noguera - Physical Review B, 2015 - APS
While MoS 2 and WS 2 nanostructures gain an increasing importance in a number of recent
technological applications, the control of their structure as a function of their size and their …

Electronic transport and dielectric properties of low-dimensional structures of layered transition metal dichalcogenides

A Kumar, PK Ahluwalia - Journal of alloys and compounds, 2014 - Elsevier
We present first principle study of the electronic transport and dielectric properties of
nanowires and nanoribbons of layered transition metal dichalcogenides (LTMDs), MX 2 (M …

Atomic and electronic properties of quasi-one-dimensional MoS2 nanowires

LF Seivane, H Barron, S Botti, MAL Marques… - Journal of materials …, 2013 - cambridge.org
The structural, electronic, and magnetic properties of quasi-one-dimensional
MoS2nanowires (NWs), passivated by extra sulfur, have been determined using ab initio …

Dispersion-Corrected Density Functional Theory Investigations of Structural and Electronic Properties of Bulk MoS2: Effect of Uniaxial Strain

CV Nguyen, NN Hieu, DT Nguyen - Nanoscale Research Letters, 2015 - Springer
Strain-dependent structural and electronic properties of MoS 2 materials are investigated
using first principles calculations. The structural and electronic band structures of the MoS 2 …