All Publications

Using Text-mined Scientific Data And AI For Materials Design

Using Text-mined Scientific Data and AI for Materials Design

Ongoing PhD Project

Journal Name: NA

#text-mining #scientific-data #ai #materials-design #theoretical #ongoing

Oct, 2023 - Present

Doping Induced Charge Transfer In Functional Graphene

Doping Induced Charge Transfer in Functional Graphene

Writing

Journal Name: NA

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

Jul, 2023 - Present

A Copper Complex Receptor For Nanomolar Sulfide Sensing And Applications In DNA/BSA Binding

A copper complex receptor for nanomolar sulfide sensing and applications in DNA/BSA binding

Accepted

Journal Of Photochemistry And Photobiology A: Chemistry

#sulfide #sensing #binding-modes #theoretical #experimental #completed #2024

Nov, 2023 - Oct, 2024

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

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

Writing

Journal Name: NA

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

Aug, 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

Preprint

Research Square For Preprint

#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

Accepted

Journal Name: NA

#trialuminium #organometallic #reactivity #ts #dft-studies #theoretical #experimental #submitted #accepted

Jun, 2022 - Sep, 2024

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