Cyclic versus straight chain oligofuran as sensor: A detailed DFT study
This study presents a novel approach for exploring the sensitivity and selectivity of cyclic
oligofuran (5/6/7CF) toward gaseous analytes and their comparison with straight chain …
oligofuran (5/6/7CF) toward gaseous analytes and their comparison with straight chain …
An ab initio study of the B35 boron nanocluster for application as atmospheric gas (NO, NO2, N2O, NH3) sensor
A new class of quasi-planar 2D borophene B 35 has been investigated for gas sensing
properties towards different atmospheric gases by DFT methods. The global minimum …
properties towards different atmospheric gases by DFT methods. The global minimum …
Development of an artificially intelligent nanopore for high-throughput DNA sequencing with a machine-learning-aided quantum-tunneling approach
Solid-state nanopore-based single-molecule DNA sequencing with quantum tunneling
technology poses formidable challenges to achieve long-read sequencing and high …
technology poses formidable challenges to achieve long-read sequencing and high …
Kagome phosphorene molecular device for sensing chloropicrin and phosgene–A first-principles study
Phosphorene received considerable attention as gas/vapor sensors owing to its gas/vapor
interaction and its chemi-resistive properties. In this report, we investigated the adsorption …
interaction and its chemi-resistive properties. In this report, we investigated the adsorption …
Machine learning aided interpretable approach for single nucleotide-based DNA sequencing using a model nanopore
Solid-state nanopore-based electrical detection of DNA nucleotides with the quantum
tunneling technique has emerged as a powerful strategy to be the next-generation …
tunneling technique has emerged as a powerful strategy to be the next-generation …
Advancement of Next‐Generation DNA Sequencing through Ionic Blockade and Transverse Tunneling Current Methods
DNA sequencing is transforming the field of medical diagnostics and personalized medicine
development by providing a pool of genetic information. Recent advancements have …
development by providing a pool of genetic information. Recent advancements have …
First-principles investigation on detection of phosgene gas molecules using phosphorene nanosheet device
R Bhuvaneswari, R Chandiramouli - Chemical Physics Letters, 2019 - Elsevier
Abstract Non-Equilibrium Green's function (NEGF) and density functional theory (DFT)
method is employed in exploring the geometric, electronic and adsorption aspects of …
method is employed in exploring the geometric, electronic and adsorption aspects of …
Electrical detection of nucleotides via nanopores in a hybrid graphene/h-BN sheet
Designing the next generation of solid-state biosensors requires developing detectors which
can operate with high precision at the single-molecule level. Nano-scaled architectures …
can operate with high precision at the single-molecule level. Nano-scaled architectures …
Sensing of toxic Lewisite (L1, L2, and L3) molecules by graphdiyne nanoflake using density functional theory calculations and quantum theory of atoms in molecule …
Promising sensor applications of graphdiyne for various gases and toxic molecules have
extensively been studied; however, similar studies for the detection of chemical warfare …
extensively been studied; however, similar studies for the detection of chemical warfare …
Boosting DNA recognition sensitivity of graphene nanogaps through nitrogen edge functionalization
One of the challenges for next generation DNA sequencing is to have a robust, stable, and
reproducible nanodevice. In this work, we propose how to improve the sensing of DNA …
reproducible nanodevice. In this work, we propose how to improve the sensing of DNA …