Exploring the anodic performance of ScSeS and TiSeS monolayers of modified transition metal dichalcogenides for Mg ion batteries via DFT calculations

Sharah Sami Rifah, Md. Sakib Zaman, Afiya Akter Piya and Siraj Ud Daula Shamim

Phys. Chem. Chem. Phys., 2024, 26, 6667
DOI: 10.1039/D3CP04532C

Metallic PtC monolayer as a promising hydrogen evolution electrocatalyst

Huan Lou and Chi Ma

Phys. Chem. Chem. Phys., 2025, 27, 2749
DOI: 10.1039/D4CP04355C

Exploring the potential of MB2 MBene family as promising anodes for Li-ion batteries

Ying Han, Lianli Wang, Bin Zheng, Jinlei Wang, Li Zhang and Beibei Xiao

RSC Adv., 2024, 14, 11112
DOI: 10.1039/D4RA00287C

Unveiling the anodic potential of Janus MNS (M = Sc, Ti; N = Se, Te) monolayers for calcium-ion batteries: insights from DFT and AIMD studies

Sharah Sami Rifah, Bivas Kumar Dash, Afiya Akter Piya and Siraj Ud Daula Shamim

Nanoscale Adv., 2026, 8, 1301
DOI: 10.1039/D5NA00694E

Transition metal Si-chalcogenides: a new two-dimensional anode material for Na-ion batteries

K. H. Yeoh, Y. H. R. Chang, K.-H. Chew, D. S. Ong, C. F. Dee, B. T. Goh, E. Y. Chang and H. W. Yu

Phys. Chem. Chem. Phys., 2024, 26, 25076
DOI: 10.1039/D4CP01843E

Probing the sensing potential of Nb- and Mo-based MXene nanosheets and their heterostructures for air pollutants: a DFT insight

Siraj Ud Daula Shamim, Taslima Akter, Aditi Ahmed Ananna, Bivas Kumar Dash and Afiya Akter Piya

RSC Adv., 2025, 15, 20712
DOI: 10.1039/D5RA03541D

Theoretical exploration of Janus Ti-based nitride MXenes (TiMN; M = Sc, Zr, Nb) as promising anode materials with fast ion diffusion for sodium-ion batteries

Bivas Kumar Dash, Aditi Ahmed Ananna, Afiya Akter Piya and Siraj Ud Daula Shamim

Surfaces and Interfaces, 2026, 86, 108692
DOI: 10.1016/j.surfin.2026.108692

T-graphene monolayer as high-performance anode for Cs-ion batteries: A DFT study

Maher Ali Rusho, A.M. Ahmad, Prakash Kanjariya, M. Manjula, Rishiv Kalia, D.S. Jayalakshmi, Shaxnoza Saydaxmetova, Gargi Sangwan and Ahmed M. Naglah

Journal of Physics and Chemistry of Solids, 2025, 204, 112780
DOI: 10.1016/j.jpcs.2025.112780

Unveiling the potential of 2D oxocarbon anodes for lithium-ion batteries: a computational exploration of 2D-C$$_6$$O$$_6$$ and Kagome-C$$_6$$O$$_6$$

Nasim Hassani

Ionics, 2025, 31, 6769
DOI: 10.1007/s11581-025-06366-2

Simple fabrication of PEDOT: PSS-based microfiber organic electrochemical transistors for neuromorphic memory applications

Seung Min Lee, Yonghee Kim, Gyu Won Woo, Jung Ha Kim, Yong Hyun Kim, Yun-seok Jun and Eun Kwang Lee

Macromol. Res., 2026
DOI: 10.1007/s13233-026-00504-z

Assessing the sensing performance of Janus transition metal dichalcogenides (ScSSe, TiSSe and ZrSSe) for oxygen-containing toxic gas molecules such as CO, NO, NO2 and SO2

Sifat Reza Khoshnobish, Tanvir Ahmed, Tanu Arefin, Afiya Akter Piya and Siraj Ud Daula Shamim

Applied Surface Science, 2025, 679, 161301
DOI: 10.1016/j.apsusc.2024.161301

Exploring the sensing properties of Janus ScSTe, TiSTe, and ZrSTe nanosheets for nitrogen based toxic gases via DFT

Md. Jahirul Islam Shawon, Bivas Kumar Dash, Al Rafat, Afiya Akter Piya and Siraj Ud Daula Shamim

Sci Rep, 2025, 15
DOI: 10.1038/s41598-025-21091-6

Unveiling the Potential of Zr2N, Hf2N, and ZrHfN as Anode Materials for Magnesium-Ion Batteries: A DFT Approach

Md. Tanjir Ahammed Rimon, Obaidullah, Bivas Kumar Dash, Tanvir Ahmed, Afiya Akter Piya and Siraj Ud Daula Shamim

Langmuir, 2026, 42, 3119
DOI: 10.1021/acs.langmuir.5c04066

Controlled graphene interfacial carbon nitride preparation for carbon negative electrodes of lithium-ion batteries

Kun Liu, Xiaobo Xiong, Jiangchun Li, Mengfan Liu, Zhentao Wu and Fei Li

Electrochimica Acta, 2024, 493, 144219
DOI: 10.1016/j.electacta.2024.144219

Recent Advancements in Applications of Graphene to Attain Next-Level Solar Cells

Sonal Santosh Bagade, Shashidhar Patel, M. M. Malik and Piyush K. Patel

C, 2023, 9, 70
DOI: 10.3390/c9030070

Exploring the performance of T-graphene for the anode of Mg-ion and Ca-ion batteries: A first-principles study

Obaidullah, Umme Habiba, Afiya Akter Piya and Siraj Ud Daula Shamim

AIP Advances, 2023, 13
DOI: 10.1063/5.0170074

Retracted: Recent advancements in boron carbon nitride (BNC) nanoscale materials for efficient supercapacitor performances

Rabia Manzar, Mohsin Saeed, Umer Shahzad, Jehan Y. Al-Humaidi, Shujah ur Rehman, Raed H. Althomali and Mohammed M. Rahman

Progress in Materials Science, 2024, 144, 101286
DOI: 10.1016/j.pmatsci.2024.101286

Recent advances in 2D anode materials for Na-ion batteries from a theoretical perspective

Nidhi Verma, Pooja Jamdagni, Ashok Kumar, Sunita Srivastava and K Tankeshwar

Critical Reviews in Solid State and Materials Sciences, 2024, 49, 931
DOI: 10.1080/10408436.2023.2273465

Adsorption Efficiency and Gas Sensing of ScSeTe, TiSeTe, and ZrSeTe Nanosheets for Nitrogen-Based Toxic Gases (NO, NO2, and NH3) through DFT Calculations

Md Mehedi Hasan, Afiya Akter Piya, S. M. Jayed Hakim, Md. Jahirul Islam Shawon, Anirbun Paul Arko, Tanvir Ahmed and Siraj Ud Daula Shamim

ACS Appl. Nano Mater., 2026, 9, 4146
DOI: 10.1021/acsanm.5c05466