Bonding, structure, and mechanical stability of 2D materials: the predictive power of the periodic table
P Hess - Nanoscale Horizons, 2021 - pubs.rsc.org
This tutorial review describes the ongoing effort to convert main-group elements of the
periodic table and their combinations into stable 2D materials, which is sometimes called …
periodic table and their combinations into stable 2D materials, which is sometimes called …
Relaxation of externally strained halide perovskite thin layers with neutral ligands
The preferred orientation (PO) and non-uniform strain of the perovskite layer coated on the
substrate can cause unwanted blue shifts in the band gap and several defects inside and on …
substrate can cause unwanted blue shifts in the band gap and several defects inside and on …
DFT investigation on direct Z-scheme photocatalyst for overall water splitting: MoTe2/BAs van der Waals heterostructure
M Cao, L Ni, Z Wang, J Liu, Y Tian, Y Zhang… - Applied Surface …, 2021 - Elsevier
The photocatalytic efficiency of monolayer materials can be greatly improved by constructing
two-dimensional van der Waals heterostructures. In this work, the electronic properties and …
two-dimensional van der Waals heterostructures. In this work, the electronic properties and …
Ferroelectricity and phase transitions in In 2 Se 3 van der Waals material
M Soleimani, M Pourfath - Nanoscale, 2020 - pubs.rsc.org
van der Waals layered α-In2Se3 has shown out-of-plane ferroelectricity down to the bilayer
and monolayer thicknesses at room temperature that can be switched by an applied electric …
and monolayer thicknesses at room temperature that can be switched by an applied electric …
Monolayer PC3: A promising material for environmentally toxic nitrogen-containing multi gases
Carbon and its analogous nanomaterials are beneficial for toxic gas sensors since they are
used to increase the electrochemically active surface region and improve the transmission of …
used to increase the electrochemically active surface region and improve the transmission of …
Fabrication of Li, Na and K electrolytes with doping elements for improved efficiency based on MOT and symmetry
This work is focused on finding a more effecient electrolyte to enhance the lithium-ion
battery's overall characteristics and performance under Molecular Ortbital Theory (MOT) …
battery's overall characteristics and performance under Molecular Ortbital Theory (MOT) …
Photocatalytic properties of novel two-dimensional B4C3/g-C3N4 van der Waals heterojunction with moderate bandgap and high carrier mobility: A theoretical study
A Mahmood, G Shi, X Wang, X Xie, J Sun - Applied Catalysis B …, 2020 - Elsevier
Developing two-dimensional heterojunctions is an excellent approach to achieve
exceptional optical, electrical, and photocatalytic properties. Here, we used the periodic …
exceptional optical, electrical, and photocatalytic properties. Here, we used the periodic …
Improving Lattice Rigidity and Charge Carrier Lifetime by Engineering Spacer Cation of Ruddlesden–Popper Perovskites: A Time-Domain Ab Initio Study
D Dai, R Shi, R Long - The Journal of Physical Chemistry Letters, 2022 - ACS Publications
First-principles quantum dynamics calculations show that charge carrier lifetimes, charge
transport, and lattice stability are notably improved when BA (CH3 (CH2) 3NH3+) in …
transport, and lattice stability are notably improved when BA (CH3 (CH2) 3NH3+) in …
[HTML][HTML] Structural, elastic, and thermodynamic properties of cubic and hexagonal ScxAl1− xN crystals
A review of the structural, elastic, and thermodynamic properties of cubic and hexagonal Sc
x Al 1− x N crystals over the range of possible random alloys is provided. Based on …
x Al 1− x N crystals over the range of possible random alloys is provided. Based on …
Two-dimensional ultrathin van der Waals heterostructures of indium selenide and boron monophosphide for superfast nanoelectronics, excitonic solar cells, and …
MK Mohanta, A Kishore, A De Sarkar - Nanotechnology, 2020 - iopscience.iop.org
Semiconducting indium selenide (InSe) monolayers have drawn a great deal of attention
among all the chalcogenide two-dimensional materials on account of their high electron …
among all the chalcogenide two-dimensional materials on account of their high electron …