Interfacial hybridization of Janus MoSSe and BX (X= P, As) monolayers for ultrathin excitonic solar cells, nanopiezotronics and low-power memory devices

MK Mohanta, A De Sarkar - Nanoscale, 2020 - pubs.rsc.org
In this work, we explored the interfacial two-dimensional (2D) physics and significant
advancements in the application prospects of MoSSe monolayer when it is combined with a …

Theoretical Investigation of the Lattice Thermal Conductivities of II–IV–V2 Pnictide Semiconductors

V Posligua, JJ Plata, AM Márquez… - ACS Applied …, 2023 - ACS Publications
Ternary pnictide semiconductors with II–IV–V2 stoichiometry hold potential as cost-effective
thermoelectric materials with suitable electronic transport properties, but their lattice thermal …

Influence of vacancy and adsorption of transition metal on performance of single layer of boron pnictides as a supercapacitor electrode: An ab initio investigation

H Kolavada, DJ Trivedi, PN Gajjar, SK Gupta - Journal of Energy Storage, 2023 - Elsevier
Our work employs density functional theory (DFT), exploring the potential of transition metal
adsorption (3d, 4d, and 5d) on boron nitride (BN), boron phosphide (BP), boron arsenide …

Valley Hall effect in graphene-like (, Ge) buckled monolayers with high charge carrier mobility and low lattice thermal conductivity

MK Mohanta, F Is, A De Sarkar - Physical Review B, 2023 - APS
A systematic analysis of the electronic and thermal properties of two semiconducting
monolayers, SnSi and SnGe, is conducted through the lens of density functional theory …

Coupled spin and valley polarization in monolayer and valley-contrasting physics at the interface

MK Mohanta, A De Sarkar - Physical Review B, 2020 - APS
Despite extensive studies on coupled spin and valley physics, occurrence of these
properties is currently limited to transition-metal dichalcogenides (TMDCs) and graphene …

First-principles prediction of the lattice thermal conductivity of two-dimensional (2D) h-BX (X= P, As, Sb) considering the effects of fourth-order and all-order scattering

S Bi, Z Chang, K Yuan, Z Sun, X Zhang… - Journal of Applied …, 2022 - pubs.aip.org
Recently, cubic boron arsenide (c-BAs) has attracted global attention due to its higher lattice
thermal conductivity (⁠ κ L⁠), which is comparable to diamond, and excellent thermal …

Two dimensional h-BSb mono-layer as a promising anode material for lithium-ion batteries studied from ab initio simulations

A Elomrani, M Lamhani, S Oukahou, K Sbiaai… - Materials Chemistry and …, 2022 - Elsevier
Lithium-ion batteries (LIBs) are the most used systems for storing energy, however finding
appropriate negative electrodes is a key factor for developing new LIBs with better …

2D HfN2/graphene interface based Schottky device: Unmatched controllability in electrical contacts and carrier concentration via electrostatic gating and out-of-plane …

MK Mohanta, A De Sarkar - Applied Surface Science, 2021 - Elsevier
Graphene-based van der Waals heterostructure (vdWH) comprising of HfN 2 monolayer
stacked over graphene has been designed and studied based on density functional theory …

Mechanism of the low thermal conductivity in novel two-dimensional NaCuSe

C Hu, L Zhou, X Hu, B Lv, Z Gao - Applied Surface Science, 2023 - Elsevier
Low lattice thermal conductivity is crucial to obtain an excellent thermoelectric figure of merit
(ZT) in thermoelectric (TE) materials. Herein, we study the phonon transport properties of two …

Ternary Ag2Se1–xTex: A Near-Room-Temperature Thermoelectric Material with a Potentially High Figure of Merit

J Chen, H Yuan, YK Zhu, K Zheng, ZH Ge… - Inorganic …, 2021 - ACS Publications
Discovering high-performance near-room-temperature thermoelectric materials is extremely
imperative to widen the practical application in thermoelectric power generation and …