PERFORM Publications

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Title		Authors	PubMed ID
1	Evolution from the physical process-based approaches to machine learning approaches to predicting urban floods: a literature review	Md Shike Bin Mazid Anik	40692624 ENCS
2	Research Trends in the Development of Block Copolymer-Based Biosensing Platforms	Chung YH; Oh JK;	39590001 CHEMBIOCHEM
3	Non-invasive paper-based sensors containing rare-earth-doped nanoparticles for the detection of D-glucose	López-Peña G; Ortiz-Mansilla E; Arranz A; Bogdan N; Manso-Silván M; Martín Rodríguez E;	38729020 CHEMBIOCHEM
4	Advances in the design and use of carbon dots for analytical and biomedical applications	Adeola AO; Clermont-Paquette A; Piekny A; Naccache R;	37757783 CHEMBIOCHEM
5	Ratiometric Sensing of Glyphosate in Water Using Dual Fluorescent Carbon Dots	Clermont-Paquette A; Mendoza DA; Sadeghi A; Piekny A; Naccache R;	37299928 BIOLOGY
6	Optical Fiber Array Sensor for Force Estimation and Localization in TAVI Procedure: Design, Modeling, Analysis and Validation	Bandari N; Dargahi J; Packirisamy M;	34450813 ENCS
7	A historical perspective on porphyrin-based metal-organic frameworks and their applications	Zhang X; Wasson MC; Shayan M; Berdichevsky EK; Ricardo-Noordberg J; Singh Z; Papazyan EK; Castro AJ; Marino P; Ajoyan Z; Chen Z; Islamoglu T; Howarth AJ; Liu Y; Majewski MB; Katz MJ; Mondloch JE; Farha OK;	33678810 CNSR
8	Gold Nano-Island Platforms for Localized Surface Plasmon Resonance Sensing: A Short Review.	Badilescu S, Raju D, Bathini S, Packirisamy M	33066088 ENCS
9	First principles investigation on armchair zinc oxide nanoribbons as uric acid sensors.	Singh P, Randhawa DKK, Tarun, Choudhary BC, Walia GK, Kaur N	31834483 ENCS

Title:	First principles investigation on armchair zinc oxide nanoribbons as uric acid sensors.
Authors:	Singh P, Randhawa DKK, Tarun, Choudhary BC, Walia GK, Kaur N
Link:	https://www.ncbi.nlm.nih.gov/pubmed/31834483?dopt=Abstract
DOI:	10.1007/s00894-019-4243-9
Publication:	Journal of molecular modeling
Keywords:	Density functional theory; Nanoribbon; Sensing; Zinc oxide;
PMID:	31834483	Category:	J Mol Model	Date Added:	2019-12-14
Dept Affiliation:	ENCS 1 Electrical and Computer Engineering Department, Concordia University, Montreal, Canada. 2 Department of Electronics and Communication Engineering, Regional Campus, Guru Nanak Dev University, Jalandhar, Punjab, India. deepkamal.ece@gndu.ac.in. 3 Applied Science Department, National Institute of Technical Teachers' Training and Research (NITTTR), Chandigarh, India. 4 Department of Electronics and Electrical Engineering, Lovely Professional University, Phagwara, Punjab, India.

Description:

First principles investigation on armchair zinc oxide nanoribbons as uric acid sensors.

J Mol Model. 2019 Dec 13;26(1):4

Authors: Singh P, Randhawa DKK, Tarun, Choudhary BC, Walia GK, Kaur N

Abstract

A study is done to check the sensing functionality of armchair zinc oxide (ZnO) nanoribbon towards uric acid. The main focus of the research is to observe the change in the electronic properties (adsorption energy, bandstructure and density of states) and transport properties (current-voltage characteristics) of nanoribbon on adsorption of uric acid. In this work, two armchair ZnO nanoribbons of width, N = 4 and 6 atoms are used, and additional variations are created in the nanoribbon by introducing defect and doping agent. Manganese is used as a dopant. The work reveals that chemisorption occurs only in the case of doping for both widths of nanoribbons, and there is an enormous increase in the conductivity of defective armchair ZnO nanoribbon with width, N = 6 as compared to others on adsorption of uric acid. All calculations are carried out using density functional theory (DFT) and non-equilibrium Green's function (NEGF). Graphical abstract.

PMID: 31834483 [PubMed - in process]

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