1.1k citations · 2.7k across the 41 of their papers we have counts for
42 papers
High-Throughput Screening of 2D Photocatalyst Heterostructures with Suppressed Electron-Hole Recombination for Solar Water Splitting
Shivanand Yadav, Jainandan Kumar Modi, Raihan Ahammed +4
Efficient and scalable photocatalysts for solar water splitting remain a critical challenge in renewable energy research. The work presents a high-throughput first-principles disco…
Transistors based on Novel 2-D Monolayer Semiconductors Bi2O2Se, InSe, and MoSi2N4 for Enhanced Logic Density Scaling
Keshari Nandan, Ateeb Naseer, Amit Agarwal +2
Making ultra-short gate-length transistors significantly contributes to scaling the contacted gate pitch. This, in turn, plays a vital role in achieving smaller standard logic cell…
Harnessing Room-Temperature Ferroelectricity in Metal Oxide Monolayers for Advanced Logic Devices
Ateeb Naseer, Musaib Rafiq, Somnath Bhowmick +2
Two-dimensional ferroelectric materials are beneficial for power-efficient memory devices and transistor applications. Here, we predict out-of-plane ferroelectricity in a new famil…
Room Temperature Ferroelectricity and Electrically Tunable Berry Curvature Dipole in III-V Monolayers
Ateeb Naseer, Achintya Priydarshi, Pritam Ghosh +4
Two-dimensional ferroelectric monolayers are promising candidates for compact memory devices and flexible electronics. Here, through first-principles calculations, we predict room…
Kinetic study of the CN + C2H6 hydrogen abstraction reaction based on an analytical potential energy surface
Joaquin Espinosa-Garcia, Somnath Bhowmick
Temperature dependence of the thermal rate constants and kinetic isotope effects (KIE) of the CN + C2H6 gas-phase hydrogen abstraction reaction was theoretically determined within…
Versatility of type-II van der Waals heterostructures: a case study with SiH-CdCl2
Achintya Priydarshi, Abhinav Arora, Yogesh Singh Chauhan +2
Unlike bilayers or a few layers thick materials, heterostructures are designer materials formed by assembling different monolayers in any desired sequence. As a result, while multi…