Dr Murali D

vidwan id: 195129

Male

Assistant Professor (Grade-I), Department of Sciences
Indian Institute of Information Technology Design And Manufacturing, Kurnool

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Expertise

Electrical and Electronic Engineering

Publications

Total Articles 34

Books 0

Proceedings 0

Publications

Scopus

Citations 494

h-index 11

CrossRef

Citations 376

h-index 11

Google Scholar

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Professional Recognition

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Community & Membership

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Bio

Ab Initio Electronic Structure Calculations to Model Real Physical Behavior of Materials for Various Applications

Personal Details

Male
Assistant Professor (Grade-I) , Indian Institute of Information Technology Design And Manufacturing, Kurnool
Indian Institute of Information Technology Design and Manufacturing Kurnool, Jagannathagattu Hill

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Assistant Professor (Grade-I) Jan 2019 – Present

Indian Institute of Information Technology Design And Manufacturing, Kurnool | Department of Sciences

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Experts (19623+)

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Assistant Professor

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Assistant Professor

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Assistant Professor (Grade-I)

Dr N PRAKASH

Assistant Professor

Mr Mrinmoy Sadhukhan

Research Scholar

Mr Haranath Rakshit

Junior Research Fellow

Organisations (44+)

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Dr Mohamed Asan Basiri M

Assistant Professor (Grade-I)

Dr Anil Kumar R

Assistant Professor

Dr Anirban Majumdar

Assistant Professor (Grade-II)

Dr Anuj Kumar

Assistant Professor (Grade-II)

Dr Akhtar Khan

Assistant Professor

Mr KONETI LOKESWARARAO

Research Scholar

Dr. R. Kabaleeshwaran

Assistant Professor

Dr Murali D

Assistant Professor (Grade-I)

Dr Nagaraju K

Assistant Professor (Grade-I)

Dr PANKAJ KAUSHIK

Assistant Professor

Co-Authors (12)

Dr Alok Sharan

Pondicherry University

Dr Baldev Raj

N/A

Dr Gurpreet Kaur

Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam

Dr Jegadeesan P

Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam

Dr P Murugavel

Indian Institute of Technology Madras

Dr Birabar Ranjit Kumar Nanda

Indian Institute of Technology Madras

Dr T Pandiyarajan

Indian Institute of Information Technology Design And Manufacturing, Kurnool

Dr Ravinder Katta

Indian Institute of Information Technology Design And Manufacturing, Kurnool

Prof Sharat Chandra

Indira Gandhi Centre for Atomic Research (IGCAR), Kalpakkam

Dr Mani Prakash

Indian Institute of Information Technology Design And Manufacturing, Kurnool

Prof A Suresh Babu

Anna University

Dr Satyanarayana S.V.M.

Pondicherry University

Scholarly Work

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Scholarly Publications

Hydrogen adsorption energy trends in Mo/WXY (X, Y = S, Se, Te) regular and Janus TMD monolayers: a first-principles and machine learning study

Open Access

Article

Journal of Materials Chemistry A. Year: 2025. Volume: 13 , Issue: 25 , Pages: 19896-19910 .

Authors: Tejaswini G.;Sudheer A.E.;Kumar A.;Perepu P.K.;Vallinayagam M.;Kamal C.;Prakash S.M.;Posselt M.;Zschornak M.;Murali D.

10.1039/d5ta02028j

Synthesis of CuBi2O4 nanotubes and their electronic structure and performance for photoelectrochemical hydrogen evolution

Open Access

Article

Ceramics International. Year: 2025.

Authors: Aparna E.T.;Sudheer A.E.;Murali D.;Vijayan B.K.;Mangalaraja R.V.;Pandiyarajan T.

10.1016/j.ceramint.2025.06.450

Theoretical insights into PtSSe-SnSSe heterostructures for renewable energy applications

Open Access

Article

Journal of Materials Chemistry C. Year: 2025. Volume: 13 , Issue: 23 , Pages: 11904-11916 .

Authors: Karthikeyan C.;Tejaswini G.;Sudheer A.E.;Vallinayagam M.;Posselt M.;Zschornak M.;Murali D.

10.1039/d5tc00301f

First principles investigation on structural and optoelectronic properties of newly designed Janus lead halides PbXY (X, Y = F, Cl, Br, I )

Open Access

Article

Computational Materials Science. Year: 2024. Volume: 243 .

Authors: Sudheer A.E.;Tejaswini G.;Posselt M.;Murali D.

10.1016/j.commatsci.2024.113123

Metalloid-doping in SMoSe Janus layers: first-principles study on efficient catalysts for the hydrogen evolution reaction

Open Access

Article

Journal of Materials Chemistry A. Year: 2024.

Authors: Vallinayagam M.;Karthikeyan J.;Posselt M.;Murali D.;Zschornak M.;Vallinayagam M.

10.1039/d3ta07243f

Band alignment in CdS-α-Te van der Waals heterostructures for photocatalytic applications: influence of biaxial strain and electric field

Open Access

Article

Physical Chemistry Chemical Physics. Year: 2024. Volume: 26 , Issue: 47 , Pages: 29339-29350 .

Authors: Tejaswini G.;Sudheer A.E.;Vallinayagam M.;Posselt M.;Zschornak M.;Maniprakash S.;Murali D.

10.1039/d4cp03368j

Accurate Determination of Excitonic Spectra of Monolayer Selenium—PtS2 Van der Waals Heterostructure

Open Access

Conference Paper

Year: 2024. Volume: 1241 , Pages: 105-111 .

Authors: Sudheer A.E.;Murali D.;Posselt M.

10.1007/978-981-97-6164-7_13

A first principles study on the stability and electronic and optical properties of 2D SbXY (X = Se/Te and y = I/Br) Janus layers

Open Access

Article

Physical Chemistry Chemical Physics. Year: 2024. Volume: 26 , Issue: 47 , Pages: 29371-29383 .

Authors: Sudheer A.E.;Kumar A.;Tejaswini G.;Vallinayagam M.;Posselt M.;Zschornak M.;Kamal C.;Murali D.

10.1039/d4cp04077e

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