PERFORM Publications

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Title		Authors	PubMed ID
1	Unraveling glyphosate sequestration: The role of natural organic matter fractions in soil-water contamination and retention	Adeola AO; Paramo L; Duarte MP; Fuoco G; Naccache R;	40939356 CHEMBIOCHEM
2	Production and characterization of magnetic Biochar derived from pyrolysis of waste areca nut husk for removal of methylene blue dye from wastewater	Chistie SM; Naik SU; Rajendra P; Apeksha None; Mishra RK; Albasher G; Chinnam S; Jeppu GP; Arif Z; Hameed J;	40603323 ENCS
3	Identification of Adsorption Sites for CO2 in a Series of Rare-Earth and Zr-Based Metal-Organic Frameworks	Tassé D; Quezada-Novoa V; Copeman C; Howarth AJ; Rochefort A;	39995385 PHYSICS
4	Efficient Decaffeination with Recyclable Magnetic Microporous Carbon from Renewable Sources: Kinetics and Isotherm Analysis	Duarte MP; Adeola AO; Fuoco G; Jargaille TJ; Naccache R;	38909946 CHEMBIOCHEM
5	Artificial aging induced changes in biochar,s properties and Cd2+ adsorption behaviors	Wang Z; Bian Y; Xu Y; Zheng C; Jiang Q; An C;	36251198 ENCS
6	Use of biomass-derived adsorbents for the removal of petroleum pollutants from water: a mini-review	Vahabisani A; An C;	34804763 ENCS
7	Comprehensive evaluation of adsorption performances of carbonaceous materials for sulfonamide antibiotics removal.	Luo B, Huang G, Yao Y, An C, Li W, Zheng R, Zhao K	32886308 CONCORDIA
8	Analysis of uric acid adsorption on armchair silicene nanoribbons: a DFT study.	Tarun T, Randhawa DKK, Singh P, Choudhary BC, Walia GK, Kaur N	32108912 ENCS

Title:	Analysis of uric acid adsorption on armchair silicene nanoribbons: a DFT study.
Authors:	Tarun T, Randhawa DKK, Singh P, Choudhary BC, Walia GK, Kaur N
Link:	https://www.ncbi.nlm.nih.gov/pubmed/32108912?dopt=Abstract
DOI:	10.1007/s00894-020-4313-z
Publication:	Journal of molecular modeling
Keywords:	ASiNR; Adsorption; Density functional theory; Uric acid;
PMID:	32108912	Category:	J Mol Model	Date Added:	2020-02-29
Dept Affiliation:	ENCS 1 Department of Electrical and Computer Engineering, Concordia University, Montreal, Canada. 2 Department of Electronics and Communication Engineering, Guru Nanak Dev University Regional Campus, 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:

Analysis of uric acid adsorption on armchair silicene nanoribbons: a DFT study.

J Mol Model. 2020 Feb 27;26(3):63

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

Abstract

Density functional theory based first-principles investigation study is done on armchair silicene nanoribbons (ASiNRs) for adsorption of uric acid molecule. Pristine and defect-induced variants of ASiNR are considered, and the electronic and transport properties are calculated with the adsorption. The pristine ASiNR with zero band gap is engineered with defect to create a band gap, and a significant change in the band structure of defective ASiNR after the adsorption is observed. The adsorption energy of the defective complex is calculated as -?9.21 eV which is more compared to that of the pristine counterpart, whose adsorption energy comes out to be 7.76 eV. The study shows that introduction of defect reduced the sensitivity of ASiNR toward uric acid molecule.

PMID: 32108912 [PubMed - as supplied by publisher]

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