All Publications

Be₂C Monolayer For Sensing Of COVID-19 Biomarkers And Drug Delivery: A DFT Study

Be₂C monolayer for sensing of COVID-19 biomarkers and drug delivery: A DFT study

Ongoing

Journal Name: NA

#sensing#2d#biomarker#drug-delivery#dft-studies#theoretical#ongoing

Jul, 2023 - Present

Doping Induced Charge Transfer In Functional Graphene

Doping Induced Charge Transfer in Functional Graphene

Ongoing

Journal Name: NA

#doping#2d#charge-transfer#graphene#dft-studies#theoretical#experimental#ongoing

Jul, 2023 - Present

DFT Study For H₂ Adsorption In A Cage Like Metal Oxide Cluster

DFT study for H₂ adsorption in a cage like metal oxide cluster

Ongoing

Journal Name: NA

#adsorption#h-storage#metal-oxide#dft-study#theoretical#ongoing

Aug, 2022 - Present

DFT Study For Selective Amino Acid (L-Cysteine) Sensing By A Cu(II)

DFT study for selective amino acid (L-Cysteine) sensing by a Cu(II)

Submitted

Journal Name: NA

#cysteine#binding-modes#amino-acid#dft-studies#theoretical#experimental#submitted

Nov, 2022 - Present

Tuning The Optoelectronic Properties By End-capped Group Modification For Efficient OSCs

Tuning the optoelectronic properties by end-capped group modification for efficient OSCs

Submitted

Journal Name: NA

#osc#optoelectronic#solar#dft-study#theoretical#submitted

Sep, 2022 - Present

Electronic Structure And Reactivity Of An Allyl-Like Trialuminium Compound

Electronic structure and Reactivity of an Allyl-Like Trialuminium Compound

Ongoing

Journal Name: NA

#trialuminium#organometallic#reactivity#ts#dft-studies#theoretical#experimental#ongoing

Jun, 2022 - Present