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

G. Tejaswini, Anjana E. Sudheer, M. Vallinayagam, M. Posselt, M. Zschornak, S. Maniprakash and D. Murali

Phys. Chem. Chem. Phys., 2024, 26, 29339
DOI: 10.1039/D4CP03368J

The coexistence of superior intrinsic piezoelectricity and thermoelectricity in two-dimensional Janus α-TeSSe

Shaobo Chen, Xiangrong Chen, Zhaoyi Zeng, Huayun Geng and Huabing Yin

Phys. Chem. Chem. Phys., 2021, 23, 26955
DOI: 10.1039/D1CP04749C

Storage of Na in 2D SnS for Na ion batteries: a DFT prediction

Mehwish Khalid Butt, Javed Rehman, Zhao Yang, Shuanhu Wang, Ahmed El-Zatahry, Ayman S. Alofi, Munirah D. Albaqami, Reham Ghazi Alotabi, Amel Laref, Kexin Jin and Mohamed F. Shibl

Phys. Chem. Chem. Phys., 2022, 24, 29609
DOI: 10.1039/D2CP02780A

Multivalency-induced structural variations of 2D selenium nanosheets: facile solution-phase synthesis and optical properties

Swathi V. M., Arjun K., Anju Rajan, Raghu Chatanathodi, Karthikeyan Balasubramanian and Aji A. Anappara

Phys. Chem. Chem. Phys., 2024, 26, 22112
DOI: 10.1039/D4CP01623H

Tunable photocatalytic water splitting and solar-to-hydrogen efficiency in β-PdSe2monolayer

Mukesh Jakhar and Ashok Kumar

Catal. Sci. Technol., 2021, 11, 6445
DOI: 10.1039/D1CY00953B

Recent progress, challenges, and prospects in emerging group-VIA Xenes: synthesis, properties and novel applications

Ayesha Khan Tareen, Karim Khan, Muhammad Aslam, Han Zhang and Xinke Liu

Nanoscale, 2021, 13, 510
DOI: 10.1039/D0NR07444F

Two-dimensional β-PdX2 (X = S, Te) monolayers for efficient solar energy conversion applications

Mukesh Jakhar and Ashok Kumar

J. Mater. Chem. A, 2022, 10, 6785
DOI: 10.1039/D1TA10925A

Two-dimensional Be2P4 as a promising thermoelectric material and anode for Na/K-ion batteries

Nidhi Verma, Poonam Chauhan and Ashok Kumar

Nanoscale, 2024, 16, 14418
DOI: 10.1039/D4NR01132E

Two-dimensional BiSbTeX2 (X = S, Se, Te) and their Janus monolayers as efficient thermoelectric materials

KM Sujata, Poonam Chauhan, Nidhi Verma, Rekha Garg Solanki and Ashok Kumar

Phys. Chem. Chem. Phys., 2024, 26, 27163
DOI: 10.1039/D4CP02750G

First principles study of 2D ring-Te and its electrical contact with a topological Dirac semimetal

Jaspreet Singh and Ashok Kumar

Nanoscale, 2023, 15, 5360
DOI: 10.1039/D2NR06909A

Emerging 15–16 group Xenes: structures, properties, preparation methods, and their catalytic applications

Cong Ma, Kai Bao, Junlei Qi, Wenbin Wang, Jingkun Wu, Ruijie Li, Yu Lin, Lingzhi Wang, Zhuangzhuang Yin, Zhixiang Tao, Chengxuan Ke, Zongxiao Wu, Yingxia Liu and Qiyuan He

Mater. Chem. Front., 2025, 9, 1075
DOI: 10.1039/D4QM01089B

Bonding, structure, and mechanical stability of 2D materials: the predictive power of the periodic table

Peter Hess

Nanoscale Horiz., 2021, 6, 856
DOI: 10.1039/D1NH00113B

Janus β-Te2X (X = S, Se) monolayers for efficient excitonic solar cells and photocatalytic water splitting

Jaspreet Singh and Ashok Kumar

J. Mater. Chem. C, 2023, 11, 1173
DOI: 10.1039/D2TC04850G

Structural, electronic, and optic properties of Se nanotubes

Ai-Ming Hu, Xiang-Hua Zhang, Wen-Zhi Xiao and Bo Meng

Physica B: Condensed Matter, 2022, 624, 413417
DOI: 10.1016/j.physb.2021.413417

Modeling the electronic, phonon, magnetic, thermal, mechanical, and optical properties of a hybrid B3C2N3 nanosheet in the context of a BC6N single layer

Nzar Rauf Abdullah, Botan Jawdat Abdullah and Vidar Gudmundsson

Materials Science in Semiconductor Processing, 2024, 180, 108581
DOI: 10.1016/j.mssp.2024.108581

Superlubricity in bilayer isomeric tellurene and graphene/tellurene van der Waals heterostructures

Guoliang Ru, Weihong Qi, Yaru Wei, Kewei Tang and Taowen Xue

Tribology International, 2021, 159, 106974
DOI: 10.1016/j.triboint.2021.106974

On the role of the interface in the mechanical and electronic properties of BCN monolayers

Raphael B. de Oliveira, Osmar F.P. dos Santos, Sergio Azevedo and Leonardo D. Machado

Diamond and Related Materials, 2024, 145, 111070
DOI: 10.1016/j.diamond.2024.111070

Emerging low-dimensional materials for mid-infrared detection

Jiangbin Wu, Nan Wang, Xiaodong Yan and Han Wang

Nano Res., 2021, 14, 1863
DOI: 10.1007/s12274-020-3128-7

Giant second harmonic generation in two-dimensional tellurene with synthesis and thickness engineering

Boqing Liu, Kun Liang, Qingyi Zhou, Ahmed Raza Khan, Zhuoyuan Lu, Tanju Yildirim, Xueqian Sun, Sharidya Rahman, Yun Liu, Zongfu Yu and Yuerui Lu

Applied Physics Reviews, 2025, 12
DOI: 10.1063/5.0218276

Electronic characteristics of diamanes and diamane-based heterojunctions

K.S. Grishakov, V.B. Merinov, K.P. Katin and M.M. Maslov

Physica E: Low-dimensional Systems and Nanostructures, 2025, 171, 116248
DOI: 10.1016/j.physe.2025.116248

Stability, optoelectronic and thermal properties of two-dimensional Janus α-Te2S

Jaspreet Singh, Mukesh Jakhar and Ashok Kumar

Nanotechnology, 2022, 33, 215405
DOI: 10.1088/1361-6528/ac54e1

InSe/Te van der Waals Heterostructure as a High-Efficiency Solar Cell from Computational Screening

Zechen Ma, Ruifeng Li, Rui Xiong, Yinggan Zhang, Chao Xu, Cuilian Wen and Baisheng Sa

Materials, 2021, 14, 3768
DOI: 10.3390/ma14143768

Laser-Annealing and Solid-Phase Epitaxy of Selenium Thin-Film Solar Cells

Rasmus Nielsen, Tobias H. Hemmingsen, Tobias G. Bonczyk, Ole Hansen, Ib Chorkendorff and Peter C. K. Vesborg

ACS Appl. Energy Mater., 2023, 6, 8849
DOI: 10.1021/acsaem.3c01464

Comparative first principles investigation on the structural, optoelectronic and vibrational properties of strain-engineered graphene-like AlC3, BC3 and C3N monolayers

Souvik Bhattacharjee, Anibrata Banerjee and Kalyan Kumar Chattopadhyay

J. Phys.: Condens. Matter, 2024, 36, 265701
DOI: 10.1088/1361-648X/ad36a1

Novel thermoelectric performance of 2D 1T- Se2Te and SeTe2 with ultralow lattice thermal conductivity but high carrier mobility

ShaoBo Chen, Wang-Li Tao, Yu Zhou, Zhao-Yi Zeng, Xiang-Rong Chen and Hua-Yun Geng

Nanotechnology, 2021, 32, 455401
DOI: 10.1088/1361-6528/ac1a91

Exploration of electrode-modulated memory and threshold switching behaviour in Se-Te-Sn thin film devices

Sindhur Joshi, John D Rodney, Anupriya James and N.K. Udayashankar

Surfaces and Interfaces, 2024, 48, 104292
DOI: 10.1016/j.surfin.2024.104292

First-Principles Study of 2d Ring-Te and its Electrical Contact with Topological Dirac Semimetal

Jaspreet Singh and Ashok Kumar

SSRN Journal, 2022
DOI: 10.2139/ssrn.4122743

Simultaneous doxorubicin encapsulation and in-situ microfluidic micellization of bio-targeted polymeric nanohybrids using dichalcogenide monolayers: A molecular in-silico study

Reza Maleki, Mohammad Khedri, Donya Malekahmadi, Seraj Mohaghegh, Ahmad Miri Jahromi and Mohammad-Ali Shahbazi

Materials Today Communications, 2021, 26, 101948
DOI: 10.1016/j.mtcomm.2020.101948

Recent Advances in Surface Modifications of Elemental Two-Dimensional Materials: Structures, Properties, and Applications

Junbo Chen, Chenhui Wang, Hao Li, Xin Xu, Jiangang Yang, Zhe Huo, Lixia Wang, Weifeng Zhang, Xudong Xiao and Yaping Ma

Molecules, 2022, 28, 200
DOI: 10.3390/molecules28010200

Surface modification of graphene and fullerene with Sulfur (S), Selenium (Se), and Oxygen (O): DFT Simulation for enhanced zidovudine delivery in HIV treatment

Faith O. Akor, Godwin D. Edo, Favour A. Nelson, Abasifreke U. Johnson, Solomon O. Iyam, Muhammad N. Abubakar, Alpha O. Gulack, Chioma B. Ubah, Bassey O. Ekpong and Innocent Benjamin

BMC Chemistry, 2024, 18
DOI: 10.1186/s13065-024-01259-3

Mott Transition in the Hubbard Model on Anisotropic Honeycomb Lattice with Implications for Strained Graphene: Gutzwiller Variational Study

Grzegorz Rut, Maciej Fidrysiak, Danuta Goc-Jagło and Adam Rycerz

IJMS, 2023, 24, 1509
DOI: 10.3390/ijms24021509

Optical anisotropy in bare and janus tellurene allotropes from ultraviolet to visible region: A first principle study

Ritika Rani, Munish Sharma and Raman Sharma

Materials Science and Engineering: B, 2021, 265, 115014
DOI: 10.1016/j.mseb.2020.115014

Computational Study of Strong Phonon Softening and Electron–Phonon Interaction in Doped Monolayer Tellurene: Implications for Neuromorphic Applications

Xiangyue Cui and Yongqing Cai

ACS Appl. Nano Mater., 2023, 6, 17457
DOI: 10.1021/acsanm.3c02559

Structural, vibrational, elastic, and electronic properties of MgO cluster-assembled monolayers

Yongliang Yong, Zhiyong Liu, Wentao Guo, Qihua Hou, Zhenlong Lv, Gang Liu, Zhansheng Lu, Xinxin Wang and Xinli Li

Physica E: Low-dimensional Systems and Nanostructures, 2025, 172, 116275
DOI: 10.1016/j.physe.2025.116275

Sub-5 nm Gate-Length Monolayer Selenene Transistors

Qiang Li, Xingyi Tan, Yongming Yang, Xiaoyong Xiong, Teng Zhang and Zhulin Weng

Molecules, 2023, 28, 5390
DOI: 10.3390/molecules28145390

Mechanical, optical and thermoelectric properties of Janus BiTeCl monolayer

Poonam Chauhan, Jaspreet Singh and Ashok Kumar

Journal of Physics and Chemistry of Solids, 2022, 167, 110758
DOI: 10.1016/j.jpcs.2022.110758