Bi–C monolayer as a promising 2D anode material for Li, Na, and K-ion batteries

Awais Ghani, Shehzad Ahmed, Adil Murtaza, Imran Muhammad, Wasif ur Rehman, Chao Zhou, Wen Liang Zuo and Sen Yang

Phys. Chem. Chem. Phys., 2023, 25, 4980
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B3S2 monolayer as an anode material for Na/K-ion batteries: a first-principles study

Danhong Wang, Zhifang Yang, Wenliang Li and Jingping Zhang

Phys. Chem. Chem. Phys., 2023, 25, 24468
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Effects of transition metal substitution doping on the structure and magnetic properties of biphenylene

Jinfeng Luan, Jiangwen Li, Yuanyuan Sun, Jie Wei, Mingzhen Wei, Youchun Wang, Ketao Yin, Hongyang Zhu and Hongzhe Pan

Phys. Chem. Chem. Phys., 2024, 26, 29948
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Theoretical investigation of Janus Ti2BST (T = O, Se) monolayers as anode materials for Na/K-ion batteries

Yanzong Wang, Lili Xie, Rui Huang, Sai Yan, Xingyong Xie and Qinfang Zhang

Phys. Chem. Chem. Phys., 2024, 26, 18394
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rC14: engineering a new dual-function carbon allotrope for sustainable energy technologies under conventional and micro-strain conditions

Yaru Wei, Baocheng Yang, Shouren Zhang and Houyang Chen

J. Mater. Chem. A, 2025, 13, 21453
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Novel carbon allotropes in all-sp2 bonding networks: self-assembling design and first-principles calculations

Ying Ma, Pan Ying, Kun Luo, Yingju Wu, Baozhong Li, Qiaoyi Han and Julong He

Phys. Chem. Chem. Phys., 2023, 25, 21573
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QPHO-graphene: a two-dimensional hexagon-free carbon allotrope as a high-performance anode material for sodium-ion batteries

Tian-Le Zhao, Zhi-Hui Wu, Xiao-Hong Zheng, Xiao-Juan Ye, He Lin and Chun-Sheng Liu

Nanoscale, 2025, 17, 10250
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Ab initio study of lithium intercalation into a graphite nanoparticle

Julian Holland, Arihant Bhandari, Denis Kramer, Victor Milman, Felix Hanke and Chris-Kriton Skylaris

Mater. Adv., 2022, 3, 8469
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Biphenylene network as sodium ion battery anode material

Xin-Wei Chen, Zheng-Zhe Lin and Xi-Mei Li

Phys. Chem. Chem. Phys., 2023, 25, 4340
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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
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Effective regulation of the electronic properties of a biphenylene network by hydrogenation and halogenation

Yunhao Xie, Liang Chen, Jing Xu and Wei Liu

RSC Adv., 2022, 12, 20088
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Directional dependence of the electronic and transport properties of biphenylene under strain conditions

Danilo P. Kuritza, Roberto H. Miwa and José Eduardo Padilha

Phys. Chem. Chem. Phys., 2024, 26, 12142
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Anisotropic thermal expansion of silicon monolayer in biphenylene network

Aiqing Guo, Fengli Cao, Xiaodong Qiu, Weiwei Ju, Zhibin Gao and Gang Liu

RSC Adv., 2023, 13, 35137
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α-Graphyne with ultra-low diffusion barriers as a promising sodium-ion battery anode and a computational scheme for accurate estimation of theoretical specific capacity

Babuji Dandigunta, Abhijitha V G, Sharma S. R. K. C. Yamijala and B. R. K. Nanda

Nanoscale, 2024, 16, 16900
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Magnetic transitions of biphenylene network layers induced by external perturbations

Sejoong Kim

J. Mater. Chem. C, 2024, 12, 4511
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Biphenylene concentric nanorings as high-performance anode materials for lithium-ion batteries: a DFT-based study on lithium intercalation and capacity enhancement

Zubair Nabi Ganaie and Priya Johari

Phys. Chem. Chem. Phys., 2025, 27, 6193
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THFS-carbon: a theoretical prediction of metallic carbon allotrope with half-auxeticity, planar tetracoordinate carbon, and potential application as anode for sodium-ion batteries

Tian-Kai Li, Xiao-Juan Ye, Lan Meng and Chun-Sheng Liu

Phys. Chem. Chem. Phys., 2023, 25, 15295
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Unveiling the potential of a BCN-biphenylene monolayer as a high-performance anode material for alkali metal ion batteries: a first-principles study

Ajay Kumar and Prakash Parida

Nanoscale, 2024, 16, 13131
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Tuning the electrochemical behavior of graphene oxide and reduced graphene oxide via doping hexagonal BN for high capacity negative electrodes for Li and Na ion batteries

Siraj Ud Daula Shamim, Afiya Akter Piya, Mohammad Sadiqur Rahman, Syed Mahedi Hasan, Md Kamal Hossain and Farid Ahmed

Phys. Chem. Chem. Phys., 2023, 25, 4047
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Single-atom Pd directly anchored on biphenylene: a promising bifunctional electrocatalyst for overall water splitting

Ting-Ting Wang, Yanan Meng, Hai-Cai Huang, Lei Zhang and Shi-Bo Cheng

Phys. Chem. Chem. Phys., 2025, 27, 291
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Theoretical Establishment and Screening of Double-Atom Catalysts Supported on Biphenylene for an Efficient Electrocatalytic Nitrogen Reduction Reaction

Kiruthika Pandiyan, Dinesh Kumar Dhanthala Chittibabu and Hsin-Tsung Chen

ACS Appl. Energy Mater., 2024, 7, 10758
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Catenary-like Rippled Biphenylene/Graphene Lateral Heterojunction

Victor M. S. da C. Dias, Danilo P. Kuritza, Igor S. S. de Oliveira, José E. Padilha and Roberto H. Miwa

J. Phys. Chem. C, 2025, 129, 12999
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Computational Studies of Super-B as Anodes for AM (Li, Na, and K) Ion Batteries

Muhammad Isa Khan, Maida Anwar, Abdul Majid, Muhammad Shakil and Muhammad Rizwan

J. Electrochem. Soc., 2022, 169, 090514
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Non-hexagonal symmetry-induced QH-graphene as a promising anode material for sodium-ion batteries: Effects of solvent, vacancy defect, and interlayer coupling

Tian-Ci Ma, Shuang-Long Yang, Xiao-Hong Zheng, Xiao-Juan Ye, He Lin and Chun-Sheng Liu

Applied Physics Letters, 2025, 126
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TD-graphene: Theoretical prediction of a high-performance anode material for sodium-ion batteries with intrinsic metallicity, high capacity, and fast ion mobility

Ru-Feng Zou, Zhi-Hui Wu, Tian-Ci Ma, Xiao-Hong Zheng, Xiao-Juan Ye, He Lin and Chun-Sheng Liu

Applied Physics Letters, 2024, 124
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Ag decoration as a strategy to enhance the methanol and ethanol sensing on the biphenylene sheet

Nicolas F. Martins, José A. Laranjeira, Pablo A. Denis and Julio R. Sambrano

Surfaces and Interfaces, 2024, 51, 104744
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Revealing the role of surface reconstruction and charge redistribution in M1M2-N4-Grs for bifunctional oxygen electrocatalysts

Yao Chen, Xuefei Liu, Gaofu Liu, Gang Wang, Degui Wang, Mingqiang Liu, Yan Wu, Zhen Wang, Abuduwayiti Aierken, Xuan Chen, Changsong Gao, Jinshun Bi, Wei Deng, Xuemin Zhang, Wenting Li, Yanghua Luo, Wentao Liang and Wenjun Xiao

International Journal of Hydrogen Energy, 2025, 121, 31
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Density functional theory study of molecular pillared graphene for High-Performance Sodium-Ion batteries

F. Peymanirad, R. Majidi, S. Izadi Vishkayi and H. Rahimpour Soleimani

Applied Surface Science, 2024, 669, 160502
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TM-N4 doped in 4,6,8-biphenylene as an efficient trifunctional electrocatalyst for oxygen reduction reaction, oxygen evolution reaction and hydrogen evolution reaction

Feng Chen, Xinhui Zhang, Baonan Jia, Chunling Zhang, Ge Wu, Yazhao Yuan, Yirong Ma, Yuanzi Li, Jinkang Yu, Xiaoning Guan and Jinbo Hao

Applied Surface Science, 2025, 687, 162279
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Petal-Graphyne: A novel 2D carbon allotrope for high-performance Li and Na ion storage

Kleuton A.L. Lima, José A.S. Laranjeira, Nicolas F. Martins, Alexandre C. Dias, Julio R. Sambrano, Douglas S. Galvão and Luiz A. Ribeiro Junior

Journal of Energy Storage, 2025, 130, 117235
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Irida-graphene: A new two-dimensional electrode material for sodium-ion batteries

Manpreet Kaur, Nidhi Duhan and T.J. Dhilip Kumar

Journal of Energy Storage, 2024, 104, 114456
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Synergy of TM-based dual-atom catalysts supported by B,N-doped biphenylene for carbon dioxide reduction reaction

Maryam Fallahzadeh, Alireza Kokabi, Zahra Nasiri Mahd and Mina Fayazi

Applied Surface Science, 2025, 682, 161651
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Enhanced non-metal catalyzed CO2 reduction on doped biphenylene

Meng-Rong Li, Xin-Wei Chen and Zheng-Zhe Lin

International Journal of Hydrogen Energy, 2024, 62, 520
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Theoretical Prediction of Janus TQ-Graphene as a Metallic Two-Dimensional Carbon Allotrope with Negative Poisson’s Ratios for High Capacity Sodium-Ion Batteries

Tian-Kai Li, Xiao-Juan Ye, Xiao-Hong Zheng, Ran Jia and Chun-Sheng Liu

ACS Appl. Nano Mater., 2023, 6, 13188
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Evolutionary prediction of novel biphenylene networks as an anode material for lithium and potassium-ion batteries

Adewale Hammed Pasanaje and Nirpendra Singh

Nano Materials Science, 2025, 7, 83
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2D biphenylene: exciting properties, synthesis & applications

Vinod Kumar, Surender Pratap and Brahmananda Chakraborty

J. Phys.: Condens. Matter, 2025, 37, 113006
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Hydroxyl-assisted globally spontaneous dynamic oxygen migration on biphenylene

Rubin Huo, Chenyi Zhou, Boyi Situ, Zihan Yan, Hao Yang, Zhengyang Fei, Qin Jin, Liang Zhao, Zhe Zhang and Yusong Tu

Physica E: Low-dimensional Systems and Nanostructures, 2024, 162, 115984
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Transition Metal (Co, V, W, Zr) Single-Atom Decorated Biphenylene for Enhancing the Sensing Performance of SF6 Decomposition Molecules

Cheng Luo, Tong Chen, Kangwei Cen, Luzhen Xie, Xiansheng Dong and Xianbo Xiao

Langmuir, 2024, 40, 9490
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Honeycomb-kagome FSL-graphene: A carbon allotrope as an ultra-high capacity anode material for fast-rechargeable sodium-ion battery

Xiao-Wei Lv, Xiao-Juan Ye, Xiao-Hong Zheng, Ran Jia and Chun-Sheng Liu

Applied Physics Letters, 2023, 122
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Holey Penta-Hexagonal Graphene as an Anode in High-Efficiency Sodium-Ion Batteries

Manpreet Kaur and Thogluva Janardhanan Dhilip Kumar

ACS Appl. Energy Mater., 2025, 8, 9820
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Biphenylene nanoribbon as a promising electrocatalyst for hydrogen evolution

Radha N Somaiya, Aftab Alam, Zicong Marvin Wong, Teck Leong Tan and Brahmananda Chakraborty

Phys. Rev. Applied, 2024, 21
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Biphenylene Nanotube: A Promising Anode Material for Sodium‐Ion Batteries

Mohsen Vafaee, Maryam Farajikhah Moghaddam and Mokhtar Nasrollahpour

Adv Materials Inter, 2023, 10
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HOP-graphene: A high-capacity anode for Li/Na-ion batteries unveiled by first-principles calculations

Nicolas F. Martins, José A.S. Laranjeira, Kleuton A.L. Lima, Luis A. Cabral, Luiz A. Ribeiro and Julio R. Sambrano

Applied Surface Science, 2025, 710, 163737
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Biphenylite as Anode Materials for Alkali Metal Ion Batteries with Self-Enhanced Storage Mechanism

Lanlan Zou, Jiaxin Jiang, Hongyan Guo, GuiZhong Zuo, Xiaojun Wu, Ning Lu and Zhiwen Zhuo

J. Phys. Chem. Lett., 2023, 14, 11513
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Anchoring of K and Na on the surface of a novel SiC monolayer: First-principles predictions

Qiong Peng, Javed Rehman, Mohib Ullah, Ammar M. Tighezza, Muhammad Bilal Hanif, M.F. Shibl and Jiayu Dai

Journal of Energy Storage, 2024, 104, 114435
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Interactions of the Biphenylene Network with α-Helical and β-Sheet Proteins: Molecular Dynamics Simulations

Bei-Wei Zhang, Bing-Quan Zhang and Zhi-Gang Shao

Langmuir, 2024, 40, 22540
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Metallic 1H-BeP2 monolayer as a potential anode material for Li-ion/Na-ion batteries: A first principles study

Changcheng Chen, Shuangna Guo, Shuli Gao, Wen Chen, Elyas Abduryim, Yue Kuai, Ge Wu, Xiaoning Guan and Pengfei Lu

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2023, 662, 131037
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Superconducting and transport properties of biphenylene network monolayer with alkaline metal adatoms

Yuewen Mu and Si-Dian Li

Applied Surface Science, 2023, 628, 157255
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Doping at sp2-Site in Graphene+ Monolayers as High-Capacity Nodal-Line Semimetal Anodes for Na-Ion Batteries: A DFT Study

Surila, Xiaodong Lv, Shaolong Su, Bingwen Zhang and Jian Gong

ACS Omega, 2025, 10, 9301
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Graphsene as a novel porous two-dimensional carbon material for enhanced oxygen reduction electrocatalysis

Mohammadreza Hosseini, Maryam Soleimani, Fazel Shojaei and Mahdi Pourfath

Sci Rep, 2024, 14
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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
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Boron and nitrogen doping engineering of biphenylene electronic and optical properties using deep learning

Alireza Kokabi and Mina Fayazi

Materials Today Communications, 2024, 40, 109847
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Metallic bilayer Kagome borophene as a promising anode material for Li and post-Li ion batteries

Zishuang Cheng, Heyun Gao, Zai-Fu Jiang, Xiaoming Zhang and Guifeng Chen

Colloids and Surfaces A: Physicochemical and Engineering Aspects, 2025, 707, 135832
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Characterization of silicon carbide biphenylene network through G0W0 -BSE calculations

Arushi Singh, Vikram Mahamiya and Alok Shukla

Phys. Rev. B, 2024, 110
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Irida-graphene as a high-performance anode for sodium batteries

Nicolas F. Martins, José A. Laranjeira, Guilherme S.L. Fabris, Pablo A. Denis and Julio R. Sambrano

Journal of Energy Storage, 2024, 104, 114637
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Predictions of two-dimensional biphenylene GeS and its seven counterparts and possible applications

Yungang Zhou

Computational Materials Science, 2023, 226, 112206
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Engineering Two-Dimensional Nodal Semimetals in Functionalized Biphenylene by Fluorine Adatoms

Seongjun Mo, Jaeuk Seo, Seok-Kyun Son, Sejoong Kim, Jun-Won Rhim and Hoonkyung Lee

Nano Lett., 2024
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A review of anode materials for sodium ion batteries

Syed Ali Riza, Ri-gan Xu, Qi Liu, Muhammad Hassan, Qiang Yang, Dao-bin Mu, Li Li, Feng Wu and Ren-jie Chen

New Carbon Materials, 2024, 39, 743
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First‐Principles Investigation of 2D o‐Al2C2 Monolayer: A High‐Performance Anode for Li/Na–Ion Batteries

Mohamed Agouri, Ayoub Benaddi, Nabil Khossossi, Said El Filali, Abderrahman Abbassi, Abdellatif Hasnaoui, Souad Taj and Bouzid Manaut

ChemPhysChem, 2025, 26
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Unveiling the chlorinated aliphatic hydrocarbon contaminants sensing properties of the biphenylene network through DFT calculations

Erwin García-Hernández

Journal of Molecular Graphics and Modelling, 2025, 140, 109099
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Exploring the capability of tetra-penta-octagonal (TPO) graphene as anode material for sodium storage via DFT and AIMD calculations

Nafis Ahmad, Anjan Kumar, Munther Kadheem, Prakash Kanjariya, Asha Rajiv, Aditya Kashyap, Helen Merina Albert and Mehul Manu

Journal of Molecular Graphics and Modelling, 2025, 139, 109077
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Exploring a metal coated by M-graphene as an encouraging anode electrode material for sodium-ion batteries using DFT calculations

Shaymaa Abed Hussein, Abdulkhalaq Fawzy Hamood, Vicky Jain, Pawan Sharma, Abhishek Kumar, K. Phaninder Vinay, Uday Raheja, Yazen M. Alawaideh and Azath Mubarakali

Solid State Ionics, 2025, 419, 116762
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Development of SiC monolayer for detection of SO3 and NF3 hazardous gases based on DFT calculations

Maher Ali Rusho, Prakash Kanjariya, Asha Rajiv, Amina Dawood Suleman, Radhwan Abdul Kareem, Hayder Saadoon Abdulaali, Ameer Hassan Idan, Aman Shankhyan and Alaa A. Omran

Computational and Theoretical Chemistry, 2025, 1244, 115045
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