Electrocatalytic study of the hydrogen evolution reaction on MoS2/BP and MoSSe/BP in acidic media

Arunima Singh, Manjari Jain, Preeti Bhumla and Saswata Bhattacharya

Nanoscale Adv., 2023, 5, 5332
DOI: 10.1039/D3NA00215B

A first-principles study of polycyclic aromatic hydrocarbon-mediated PbS QD/2D BP 0D/2D hybrid-dimensional systems

YuXuan Du, ZhuoMan Wang, Shuai Wen, MengLin Li, LiZhu Wu, Tao Ma, Meiqi Wang, Shaojie Peng, Shengyong Wang, Chao Wu and Huan Liu

J. Mater. Chem. C, 2025, 13, 13007
DOI: 10.1039/D5TC00386E

Synergistic energy harvesting and catalysis in B2SSe–MSSe (M = Mo, W) van der Waals heterostructures

Basit Ali, Khadija Bashir, Yuanping Chen, Sailing He, M. Idrees and B. Amin

RSC Adv., 2026, 16, 836
DOI: 10.1039/D5RA07674A

Electronic structure and interface contact of two-dimensional van der Waals boron phosphide/Ga2SSe heterostructures

Hoang-Thinh Do, Tuan V. Vu, A. A. Lavrentyev, Nguyen Q. Cuong, Pham V. Cuong and Hien D. Tong

RSC Adv., 2022, 12, 19115
DOI: 10.1039/D2RA02748H

Hydrogenation-induced ultrahigh stabilization and tunable electronic structures of two-dimensional orthorhombic diboron diphosphide

Hui Zeng, Jun Zhao and Da-Zhi Ding

J. Phys. D: Appl. Phys., 2023, 56, 355107
DOI: 10.1088/1361-6463/acd1fe

Stabilities, Electronic, Thermal, and Optical Properties of NbSeS Janus Monolayer

Pramod Kumar Thakur, Gopi Chandra Kaphle, Krishna Prasad Chapai, Hari Shankar Mallik, Hari Prasad Lamichhane and Anurag Srivastava

Physica Status Solidi (b), 2025, 262
DOI: 10.1002/pssb.202500151

Tailoring the structural, electronic and transport characteristics of zigzag BP nanoribbons with edge passivations

Ankita Nemu and Neeraj K. Jaiswal

Materials Science in Semiconductor Processing, 2024, 175, 108257
DOI: 10.1016/j.mssp.2024.108257

Novel B6P6X (X=As, Sb) monolayers for antiferromagnetic spintronics and hydrogen storage

Yusuf Zuntu Abdullahi, Ikram Djebablia and Sohail Ahmad

Journal of Physics and Chemistry of Solids, 2025, 197, 112431
DOI: 10.1016/j.jpcs.2024.112431

Coexistence of electronic and phononic higher-order band topology in group III-V monolayers

Xijian Zhu, Kanghan Zackery Ye, Fangyang Zhan, Xianyong Ding, Da-Shuai Ma and Rui Wang

Phys. Rev. B, 2025, 111
DOI: 10.1103/PhysRevB.111.165205

First-principles calculations to study the optical/electronic properties of 2D VS2 with Z doping (Z = N, P, As, F, Cl and Br)

Yuanyuan Cui, Wei Fan, Yujie Ren, Guang Yang and Yanfeng Gao

Progress in Natural Science: Materials International, 2022, 32, 236
DOI: 10.1016/j.pnsc.2022.01.007

DFT based investigations for the structural and electronic properties of coved zigzag BP nanoribbons

Ankita Nemu and Neeraj K. Jaiswal

Journal of Molecular Graphics and Modelling, 2023, 121, 108453
DOI: 10.1016/j.jmgm.2023.108453

Electronic and thermoelectric properties of bilayer GeB/BP: first-principles calculation

Mojtaba Ashhadi

Indian J Phys, 2025, 99, 2843
DOI: 10.1007/s12648-024-03521-9

Hydrogenated Boron Phosphide THz-Metamaterial-Based Biosensor for Diagnosing COVID-19: A DFT Coupled FEM Study

Chunjian Tan, Shaogang Wang, Huiru Yang, Qianming Huang, Shizhen Li, Xu Liu, Huaiyu Ye and Guoqi Zhang

Nanomaterials, 2022, 12, 4024
DOI: 10.3390/nano12224024

Self-energy corrected band-gap tuning induced by strain in the hexagonal boron phosphide monolayer

Jose Mario Galicia-Hernandez, J. Guerrero-Sanchez, R. Ponce-Perez, H.N. Fernandez-Escamilla, Gregorio H. Cocoletzi and Noboru Takeuchi

Computational Materials Science, 2022, 203, 111144
DOI: 10.1016/j.commatsci.2021.111144

Enhanced optoelectronic and elastic responses in fluorinated penta-BCN

Shambhu Bhandari Sharma, Santosh K.C. and Durga Paudyal

Applied Surface Science, 2022, 593, 153239
DOI: 10.1016/j.apsusc.2022.153239

Atom Substitution Defects of Hexagonal Boron Phosphide Suppress Charge Recombination

Lili Xu, Aolei Wang, Bingwen Li, Jin Zhao, Haibo Zeng and Shengli Zhang

J. Phys. Chem. Lett., 2022, 13, 6455
DOI: 10.1021/acs.jpclett.2c01882

Multiple extremely flat bands in twisted bilayer binary materials at large twist angles induced by atomic reconstruction

Dawei Kang, Zhaowu Wang and Zheng-wei Zuo

Phys. Rev. B, 2023, 108
DOI: 10.1103/PhysRevB.108.075415

Computer-aided study on the two-dimensional hexagonal boron phosphide nanosheets for selective detection of ambient toxic gas

Tao Hai, Ali Basem, Mohamad J. Alfaker, Shelesh Krishna Saraswat, Tariq J. Al-Musawi, Rohit Sharma, A. Elawady, Masoud Alajmi and Rahadian Zainul

Physica B: Condensed Matter, 2024, 691, 416317
DOI: 10.1016/j.physb.2024.416317

Selective adhesion of nitrogen-containing toxic gasses on hexagonal boron phosphide monolayer: a computational study

Yuanyuan Zhang, Xiaolei Yan, Ahmed Mahal, Shelesh Krishna Saraswat, Harpreet Kaur, Ahmad J. Obaidullah, Yazen M. Alawaideh, Talib Kh. Hussein and Ahmed Elawady

J Mol Model, 2024, 30
DOI: 10.1007/s00894-024-06041-9

Single‐Layer Boron Phosphide on Metallic Surfaces: Screening of Promising Substrates

Walter Zuccolin and Maria Peressi

Physica Status Solidi (b), 2026, 263
DOI: 10.1002/pssb.202500293

Strain-Driven High Thermal Conductivity in Hexagonal Boron Phosphide Monolayer

Xihao Chen, Guangzhao Wang, Bingke Li and Ning Wang

Langmuir, 2024, 40, 3095
DOI: 10.1021/acs.langmuir.3c03472

Enhanced Electronic Thermal Conductivity and Heat Capacity of Biased Bilayer Boron Phosphide with Magnetic Field

Pouyan Ghiasi, Raad Chegel and Nader Ghobadi

J. Electron. Mater., 2022, 51, 7240
DOI: 10.1007/s11664-022-09966-0

A first-principles investigation on substitutionally doped & co-doped boron phosphide (BP) monolayer for hydrogen-based gas sensing

K.S. Bharath Shirpi Thasan, C. Poornimadevi and D. John Thiruvadigal

Computational Condensed Matter, 2025, 44, e01091
DOI: 10.1016/j.cocom.2025.e01091

Electronic, mechanical, and optical properties of BP nanotubes: A first-principles study

V.N. da Rocha, G.L. Cardoso, P.C. Piquini and R. Ahuja

Computational Condensed Matter, 2023, 34, e00785
DOI: 10.1016/j.cocom.2023.e00785

Ferromagnetic single atom doped boron phosphide monolayers as effective electrocatalysts for Lithium-Sulfur batteries

Yuan Song, Yingjie Cheng, Xiaoya Zhang, Chunyu Zhao, Xiaofei Bian, Xing Meng, Yizhan Wang and Yingjin Wei

Applied Surface Science, 2024, 649, 159196
DOI: 10.1016/j.apsusc.2023.159196

Modeling the manganese deposit on the BP (111)-(2×2) surface: Density functional theory studies

S. Esteban-Gómez, S.J. Gutierrez-Ojeda, A. Sanchez-Castillo, D. García-Toral, A.N. Sosa-Camposeco and Gregorio H. Cocoletzi

Materials Today Communications, 2024, 40, 109574
DOI: 10.1016/j.mtcomm.2024.109574

Boron phosphide nanotubes as anodes for Li batteries

Günther L. Cardoso, Vinicius N. da Rocha, Rajeev Ahuja and Paulo C. Piquini

Computational Condensed Matter, 2025, 42, e01004
DOI: 10.1016/j.cocom.2025.e01004

Effect of C & Si decoration on the Boron Phosphide (BP) nanosheets for gas sensing applications – A first principles investigation

K.S. Bharath Shirpi Thasan, C. Poornimadevi, C. Preferencial Kala and D. John Thiruvadigal

Materials Science in Semiconductor Processing, 2025, 189, 109295
DOI: 10.1016/j.mssp.2025.109295

Stability, electronic and magnetic properties of boronphosphide (BP) graphenylene induced by interstitial atomic doping

Warda Elaggoune and Yusuf Zuntu Abdullahi

Journal of Physics and Chemistry of Solids, 2024, 194, 112256
DOI: 10.1016/j.jpcs.2024.112256

Revealing the superlative electrochemical properties of o-B2N2 monolayer in Lithium/Sodium-ion batteries

Nabil Khossossi, Wei Luo, Zakaryae Haman, Deobrat Singh, Ismail Essaoudi, Abdelmajid Ainane and Rajeev Ahuja

Nano Energy, 2022, 96, 107066
DOI: 10.1016/j.nanoen.2022.107066

Structural, electronic and optical properties of anisotropic AlN/BP van der Waals heterostructures with high carrier mobility and remarkable optical absorption

Bromand Nourozi, Farhad Khoeini and Arash Boochani

Inorganic Chemistry Communications, 2024, 168, 112830
DOI: 10.1016/j.inoche.2024.112830

First-principles studies of the SCl2 adsorption on the doped boron phosphide monolayer

Akari Narayama Sosa, Sandra Esteban Gómez, Juan Carlos Moreno Hernández, Dolores García Toral and Gregorio Hernández Cocoletzi

J Mol Model, 2025, 31
DOI: 10.1007/s00894-025-06333-8