Carbon nanotube based biosensors
Carbon nanotube (CNT) based biosensors are recognized to be a next generation building
block for ultra-sensitive and ultra-fast biosensing systems. This article provides an overview …
block for ultra-sensitive and ultra-fast biosensing systems. This article provides an overview …
Nanowire-based gas sensors
Gas sensors fabricated with nanowires as the detecting elements are powerful due to their
many improved characteristics such as high surface-to-volume ratios, ultrasensitivity, higher …
many improved characteristics such as high surface-to-volume ratios, ultrasensitivity, higher …
Systematic comparison of the structural and dynamic properties of commonly used water models for molecular dynamics simulations
SP Kadaoluwa Pathirannahalage… - Journal of Chemical …, 2021 - ACS Publications
Water is a unique solvent that is ubiquitous in biology and present in a variety of solutions,
mixtures, and materials settings. It therefore forms the basis for all molecular dynamics …
mixtures, and materials settings. It therefore forms the basis for all molecular dynamics …
Sensitive stripping voltammetric determination of Cd (II) and Pb (II) by a Bi/multi-walled carbon nanotube-emeraldine base polyaniline-Nafion composite modified …
In this study, a multi-walled carbon nanotube (MWCNT)-emeraldine base polyaniline (EBP)-
Nafion (NA) composite modified glassy carbon electrode (MWCNT-EBP-NA/GCE) was …
Nafion (NA) composite modified glassy carbon electrode (MWCNT-EBP-NA/GCE) was …
Exfoliated graphene leads to exceptional mechanical properties of polymer composite films
Polymers with superior mechanical properties are desirable in many applications. In this
work, polyethylene (PE) films reinforced with exfoliated thermally reduced graphene oxide …
work, polyethylene (PE) films reinforced with exfoliated thermally reduced graphene oxide …
Molecular modeling of temperature dependence of solubility parameters for amorphous polymers
A molecular modeling strategy is proposed to describe the temperature (T) dependence of
solubility parameter (δ) for the amorphous polymers which exhibit glass-rubber transition …
solubility parameter (δ) for the amorphous polymers which exhibit glass-rubber transition …
Functionalization-induced changes in the structural and physical properties of amorphous polyaniline: A first-principles and molecular dynamics study
In this paper, we present a first-principles and molecular dynamics study to delineate the
functionalization-induced changes in the local structure and the physical properties of …
functionalization-induced changes in the local structure and the physical properties of …
Impact of the functional group on the working range of polyaniline as carbon dioxide sensors
We present a molecular modeling methodology to investigate the effect of functional group
on the working range of polyaniline sensors for carbon dioxide (CO2) in agriculture industry …
on the working range of polyaniline sensors for carbon dioxide (CO2) in agriculture industry …
Molecular dynamics simulation of polypropylene: diffusion and sorption of H2O, H2O2, H2, O2 and determination of the glass transition temperature
F Deckers, K Rasim, C Schröder - Journal of Polymer Research, 2022 - Springer
Molecular dynamics (MD) simulations in the canonical (NVT) and the isothermal-isobaric
(NPT) ensemble using COMPASS III molecular force fields were performed to study the …
(NPT) ensemble using COMPASS III molecular force fields were performed to study the …
Atomistic simulation for coil-to-globule transition of poly (2-dimethylaminoethyl methacrylate)
The coil-to-globule transition of poly (2-dimethylaminoethyl methacrylate)(PDMAEMA) in
aqueous solution was investigated by all-atomistic molecular dynamics simulations. The …
aqueous solution was investigated by all-atomistic molecular dynamics simulations. The …