(Pdf) sub 20 nm metal-conjugated molecule junctions acting as a nitrogen dioxide sensor electricity khan academy


The research thirst of our group is mainly focused on different aspects of computational materials science. Computational materials modeling expertise of our group is diversified into metals, semic onductors, superconductors, two-dimensional materials, biomaterials for different applications like catalysis, solar cell k electric share price, battery and sensing research. Research in material theory is based on an atomic, quantum mechanical description. The aim of the research is to understand the properties of the materials, such as superconducting and topological phases. The research aims to predict new properties and propose new materials with desired properties, as well as to develop the theoretical description of the materials. Additionally, for sensing applications, our focus is on nanopores as a new approach for sequencing DNA. We use molecular dynamics simulations to explore the movement of DNA electric zap sound effect free in the nanopore channel, density functional theory to determine the electronic structure of the nano-bio device, and quantum transport methods to calculate the electrical conductance which constitutes the output signal to distinguish between the four different bases in DNA. Our other research focus is the use of 2D nanomaterials as targeted drug delivery agents for the treatment of cancer, antibiotic resistance, neurodegenerative diseases gas bubble in throat like Alzheimer’s etc. Here, ab initio simulations are used by us to mainly understand the adsorption characteristics of the drug molecules in the context of binding energies, electronic structure, and optical properties.

To the league of ever expanding 2D materials, borophene is a recent addition. Herein, a combination of ab initio density functional theory (DFT) and non-equilibrium Green’s function (NEGF) based methods is used to estimate this prospects of this promising elemental 2D material for gas sensing applications. We note that extra strength gas x while pregnant the binding of target gas molecules such as CO, NO, NO2, NH3 and CO2 are quite … [Show full abstract] strong on the borophene surface. Interestingly, our computed binding energies are far stronger than several other reported 2D materials e85 gas stations florida like graphene, MoS2 and phosphorene. Further rationalization of stronger binding is made with the help of charge transfer analysis. The sensitivity of the borophene for these gases is also interpreted in terms of computing the vibrational spectra of the adsorbed gases on top of borophene, which show dramatic shift from their save electricity images for drawing gas phase reference values. Metallic nature of borophene enables us to devise a setup considering the same substrate as electrodes. From the computation of the transmission function of system (gas + borophene), appreciable change in the transmission functions are noted compared to pristine borophene surface. The measurements of current-voltage (I-V) characteristics unambiguously demonstrate the presence and absence of gas molecules (acting as ON and OFF states), strengthening the plausibility of a borophene based gas sensing device. As we extol the extraordinary sensitivity of borophene, we assert that this elemental 2D material is likely to attract subsequent grade 9 electricity test questions interest. Read more

Recent advances in solid state nano device based DNA sequencing are at the helm of the development of a new paradigm, commonly referred to as personalized medicines. Paying heed to a timely need for standardizing robust nano devices for cheap, fast and scalable DNA detection, in this article, nanogap formed by lateral heterostructure of graphene electricity 220v and hexagonal boron nitride (hBN) is explored as a … [Show full abstract] potential architecture. These heterostructures have been realized experimentally, and our study boasts the idea that the passivation of the edge of graphene electrode with hBN will solve many of the practical problems, such as high reactivity of the graphene gas near me prices edge and difficulty in controlled engineering of the graphene edge structure, while retaining nanogap setup as a useful nanodevice for sensing applications. Employing first principle density functional theory based non-equilibrium Green’s function methods we identify that the DNA building blocks, nucleobases, uniquely couple with the states of the nanogap and the resulting induced states can be attributed as leaving a fingerprint of the DNA sequence in the computed current-voltage (IV) characteristic. Two bias windows are put forward: lower (1 -1.2 V) and higher (2.7-3 V), where unique identification of all four bases is possible form the current traces gas 93, although higher sensitivity is obtained at the higher voltage window. Our study can be practically guiding for experimentalists towards development of a nanodevice DNA sensor based on graphene-hBN heterostructures. Read more Discover more