DFT Application on the Interaction Properties of Ethanol Vapors with MnFe2O4 Nanostructures

Spray deposited MnFe 2 O 4 thin films for detection of ethanol and acetone vapors

(2018) V. Nagarajan et al.   APPLIED SURFACE SCIENCE

Alcohol molecules adsorption on graphane nanosheets – A first-principles investigation

(2018) V. Nagarajan et al.   APPLIED SURFACE SCIENCE

Adsorption studies of trimethyl amine and n-butyl amine vapors on stanene nanotube molecular device – A first-principles study

(2018) R. Bhuvaneswari et al.   CHEMICAL PHYSICS

Adsorption of ammonia molecules and humidity on germanane nanosheet—A density functional study

(2018) V. Nagarajan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

First-principles investigation on structural and electronic properties of antimonene nanoribbons and nanotubes

(2018) V. Nagarajan et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Density functional studies on the binding of methanol and ethanol molecules to graphyne nanosheet

(2018) V. Nagarajan et al.   Computational and Theoretical Chemistry

First-principles insights on detection of dimethyl amine and trimethyl amine vapors using graphdiyne nanosheets

(2018) V. Nagarajan et al.   Computational and Theoretical Chemistry

First-Principles Investigation on Interaction of NH3 Gas on a Silicene Nanosheet Molecular Device

(2017) Veerappan Nagarajan et al.   IEEE TRANSACTIONS ON NANOTECHNOLOGY

Mechanistic studies of mercury adsorption and oxidation by oxygen over spinel-type MnFe 2 O 4

(2017) Yingju Yang et al.   JOURNAL OF HAZARDOUS MATERIALS

First-Principles Insights on Acetone Vapor Manganese Ferrite Solid Surface Interactions

(2017) V. Nagarajan et al.   Journal of Inorganic and Organometallic Polymers and Materials

Study of Alcohol and Aldehydes Interaction on the Surface of Silicane Nanosheet: Application of Density Functional Theory

(2017) V. Nagarajan et al.   Journal of Inorganic and Organometallic Polymers and Materials

Sensing properties of monolayer borophane nanosheet towards alcohol vapors: A first-principles study

(2017) V. Nagarajan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Structural and electronic properties of germanane nanosheet upon molecular adsorption of alcohol and aldehyde molecules: DFT comparative analysis

(2017) R. Chandiramouli   JOURNAL OF MOLECULAR LIQUIDS

Magnonic sensor array based on magnetic nanoparticles to detect, discriminate and classify toxic gases

(2017) D. Matatagui et al.   SENSORS AND ACTUATORS B-CHEMICAL

MgFe2O4 thin films for detection of ethanol and acetone vapours

(2017) V. Nagarajan et al.   SURFACE ENGINEERING

Borophene nanosheet molecular device for detection of ethanol – A first-principles study

(2017) V. Nagarajan et al.   Computational and Theoretical Chemistry

Electronic and Magnetic Properties of Ca-Doped Mn-Ferrite

(2016) M. Ustundağ et al.   ACTA PHYSICA POLONICA A

Synthesis of magnetically recyclable spinel ferrite (MFe2O4, M=Zn, Co, Mn) nanocrystals engineered by sol gel-hydrothermal technology: High catalytic performances for nitroarenes reduction

(2016) Islam Ibrahim et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

Tandem Core–Shell Si–Ta3N5 Photoanodes for Photoelectrochemical Water Splitting

(2016) Ieva Narkeviciute et al.   NANO LETTERS

Sensing properties of BN nanotube toward carcinogenic 4-chloroaniline: A computational study

(2016) Majid Eslami et al.   PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES

Semiconducting Group 15 Monolayers: A Broad Range of Band Gaps and High Carrier Mobilities

(2015) Shengli Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hybrid nanostructures based on titanium dioxide for enhanced photocatalysis

(2015) Kakarla Raghava Reddy et al.   APPLIED CATALYSIS A-GENERAL

First principles investigation of hydrogen physical adsorption on graphynes' layers

(2015) Massimiliano Bartolomei et al.   CARBON

Comparative Studies of Spinel MnFe2O4 Nanostructures: Structural, Morphological, Optical, Magnetic and Catalytic Properties

(2015) A. Mary Jacintha et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Molecular and Electronic Structure Elucidation of Polypyrrole Gas Sensors

(2015) Salma Bibi et al.   Journal of Physical Chemistry C

Synthesis and characterization of MnFe2O4 nanoparticles for impedometric ammonia gas sensor

(2015) Ramasamy Hari Vignesh et al.   SENSORS AND ACTUATORS B-CHEMICAL

DNA nucleobase interaction with graphene like BC 3 nano-sheet based on density functional theory calculations

(2015) Majid Eslami et al.   THIN SOLID FILMS

Operating temperature dependent ethanol and formaldehyde detection of spray deposited mixed CdO and MnO2 thin films

(2015) R. Chandiramouli et al.   RSC Advances

Edge-enriched graphene quantum dots for enhanced photo-luminescence and supercapacitance

(2014) Mahbub Hassan et al.   Nanoscale

Carbon functionalized TiO2 nanofibers for high efficiency photocatalysis

(2014) Kakarla Raghava Reddy et al.   Materials Research Express

NH3 on a BC3 nanotube: effect of doping and decoration of aluminum

(2013) Ali Ahmadi Peyghan et al.   JOURNAL OF MOLECULAR MODELING

DFT Study of Polyaniline NH3, CO2, and CO Gas Sensors: Comparison with Recent Experimental Data

(2013) Habib Ullah et al.   Journal of Physical Chemistry C

Facile Synthesis of ZnFe2O4 Nanoparticles with Tunable Magnetic and Sensing Properties

(2013) Peizhi Guo et al.   LANGMUIR

Controllable electrochemical synthesis of CoFe2O4 nanostructures on FTO substrate and their magnetic properties

(2013) Mingyang Li et al.   NEW JOURNAL OF CHEMISTRY

Efficient synthesis of novel spiro-furo-pyrido-pyrimidine-indolines by manganese ferrite nanoparticles as a highly active magnetically reusable nanocatalyst in water

(2013) Hossein Naeimi et al.   NEW JOURNAL OF CHEMISTRY

Sensing behavior of Al and Si doped BC3 graphenes to formaldehyde

(2013) Javad Beheshtian et al.   SENSORS AND ACTUATORS B-CHEMICAL

Colloidal nanoparticle clusters: functional materials by design

(2012) Zhenda Lu et al.   CHEMICAL SOCIETY REVIEWS

Review of CdO thin films

(2012) R. Chandiramouli et al.   SOLID STATE SCIENCES

One-Pot Synthesis of Uniform Fe3O4 Nanospheres with Carbon Matrix Support for Improved Lithium Storage Capabilities

(2011) Jun Song Chen et al.   ACS Applied Materials & Interfaces

Controlled synthesis, magnetic and photocatalytic properties of hollow spheres and colloidal nanocrystal clusters of manganese ferrite

(2011) Peizhi Guo et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

Oxidation of monovacancies in graphene by oxygen molecules

(2011) T. P. Kaloni et al.   JOURNAL OF MATERIALS CHEMISTRY

Facile Fabrication and Photocatalytic Application of Ag Nanoparticles-TiO2 Nanofiber Composites

(2011) Kakarla Raghava Reddy et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

Exchange-coupled magnetic nanoparticles for efficient heat induction

(2011) Jae-Hyun Lee et al.   Nature Nanotechnology

Theoretical study of aluminum nitride nanotubes for chemical sensing of formaldehyde

(2011) Ali Ahmadi et al.   SENSORS AND ACTUATORS B-CHEMICAL

A theoretical study of CO adsorption on aluminum nitride nanotubes

(2011) Javad Beheshtian et al.   STRUCTURAL CHEMISTRY

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Self-assembly approach for the synthesis of electro-magnetic functionalized Fe3O4/polyaniline nanocomposites: Effect of dopant on the properties

(2008) Kakarla Raghava Reddy et al.   COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS

A new one-step synthesis method for coating multi-walled carbon nanotubes with cuprous oxide nanoparticles

(2008) Kakarla Raghava Reddy et al.   SCRIPTA MATERIALIA