B3O3 monolayer: an emerging 2D material for CO2 capture

Rezvan Rahimi and Mohammad Solimannejad

New J. Chem., 2021, 45, 15328
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Theoretical investigation of various aspects of two dimensional holey boroxine, B3O3

Saif Ullah, Pablo A. Denis and Fernando Sato

RSC Adv., 2019, 9, 37526
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Revealing the electronic properties of the B–B bond: the bis-catecholato diboron molecule

D. Toffoli, C. Grazioli, M. Monti, M. Stener, R. Totani, R. Richter, L. Schio, G. Fronzoni and A. Cossaro

Phys. Chem. Chem. Phys., 2021, 23, 23517
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Surface-confined single-layer covalent organic frameworks: design, synthesis and application

Daling Cui, Dmitrii F. Perepichka, Jennifer M. MacLeod and Federico Rosei

Chem. Soc. Rev., 2020, 49, 2020
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Keto–enol tautomerization drives the self-assembly of leucoquinizarin on Au(111)

Roberto Costantini, Luciano Colazzo, Laura Batini, Matus Stredansky, Mohammed S. G. Mohammed, Simona Achilli, Luca Floreano, Guido Fratesi, Dimas G. de Oteyza and Albano Cossaro

Chem. Commun., 2020, 56, 2833
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Probing dynamic covalent chemistry in a 2D boroxine framework by in situ near-ambient pressure X-ray photoelectron spectroscopy

Paul Leidinger, Mirco Panighel, Virginia Pérez Dieste, Ignacio J. Villar-Garcia, Pablo Vezzoni, Felix Haag, Johannes V. Barth, Francesco Allegretti, Sebastian Günther and Laerte L. Patera

Nanoscale, 2023, 15, 1068
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Strain tuning of optoelectronic properties of covalent organic framework bilayers and heterostructures

M. Alihosseini and M. Neek-Amal

Phys. Rev. B, 2023, 108
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Electronic Structure and Charge Dynamics at the Tri-pyrene Boroxine–Gold Interface

Daniele Toffoli, Claudio Lentini Campallegio, Simone Pistillo, Simone Micheloni, Luca Schio, Massimo Tormen, Luca Floreano, Roberto Costantini, Martina Dell’Angela, Alberto Morgante, Giovanna Fronzoni, Mauro Stener and Albano Cossaro

J. Phys. Chem. C, 2025, 129, 1475
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Recent Advances of Hierarchical and Sequential Growth of Macromolecular Organic Structures on Surface

Corentin Pigot and Frédéric Dumur

Materials, 2019, 12, 662
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Therapeutic efficiency of B3O3 quantum dot as a targeted drug delivery system toward Foscarnet anti-HIV drug

Muhammad Nauman Zahid, Misbah Asif, Hasnain Sajid, Naveen Kosar, Muhammad Akbar Shahid, Abdulrahman Allangawi, Khurshid Ayub, Muhammad Azeem and Tariq Mahmood

Computational and Theoretical Chemistry, 2023, 1224, 114107
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First-principles studies on two-dimensional B3O3 adsorbent as a potential drug delivery platform for TEPA anticancer drug

Rezvan Rahimi, Mohammad Solimannejad and Zeynab Ehsanfar

J Mol Model, 2021, 27
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Development of B3O3 monolayer as a highly sensitive sensor for detection of acetone molecule: A DFT analysis

Youssef Ali Naeem, Abdullah Hasan Jabbar, Marwan Azeez Lateef, Alaa A. Omran, Manal Morad Karim, Alzahraa S. Abdulwahid and Mustafa M. Kadhim

Sustainable Chemistry for the Environment, 2024, 5, 100079
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Computational NEXAFS Characterization of Molecular Model Systems for 2D Boroxine Frameworks

Daniele Toffoli, Elisa Bernes, Albano Cossaro, Gabriele Balducci, Mauro Stener, Silvia Mauri and Giovanna Fronzoni

Nanomaterials, 2022, 12, 1610
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On-Surface Synthesis of Boroxine-Based Molecules

Elia Turco, Matus Stredansky, Roberto Costantini, Javier A. Martinez, Martina Dell’Angela, Elena Zerbato, Daniele Toffoli, Giovanna Fronzoni, Alberto Morgante, Luca Floreano and Albano Cossaro

Chemistry, 2021, 3, 1401
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Conservation of Nickel Ion Single‐Active Site Character in a Bottom‐Up Constructed π‐Conjugated Molecular Network

Daniel Baranowski, Iulia Cojocariu, Alessandro Sala, Cristina Africh, Giovanni Comelli, Luca Schio, Massimo Tormen, Luca Floreano, Vitaliy Feyer and Claus M. Schneider

Angewandte Chemie, 2022, 134
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Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study

Daniele Toffoli, Aurora Ponzi, Elisa Bernes, Monica de Simone, Cesare Grazioli, Marcello Coreno, Matus Stredansky, Albano Cossaro and Giovanna Fronzoni

The Journal of Chemical Physics, 2019, 151
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Adsorption of diatomic molecules on nitrogenated holey graphene: Theoretical insights

I.K. Petrushenko and K.B. Petrushenko

Surfaces and Interfaces, 2021, 27, 101446
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Inspection the potential of B3O3 monolayer as a carrier for flutamide anticancer delivery system

Maysam Barzan Talab, Halah hasan muttashar, Jabbar Faraj, Sallal A.H. Abdullaha, Safa K. Hachim, Mohaned Adel, Mustafa M. Kadhim and Ahmed Mahdi Rheima

Computational and Theoretical Chemistry, 2022, 1217, 113886
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Electronic and optical properties of COFs/graphene and COF/hBN heterostructures

S. Fatemeh K. Shariat Panahi, M. Alihosseini and M. Neek-Amal

Journal of Applied Physics, 2024, 135
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Nanoporous cyanuric acid nanosheets for semiconductors: Insights from chemical bonding

Gaurav Jhaa and Biswadeep Bera

Chemical Physics Letters, 2023, 811, 140236
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Single atom intercalation in 2D triazine-based (g-C6N6) and boroxine-based (B6O6) porous covalent organic framework bilayers and heterostructures

M. Alihosseini and M. Neek-Amal

Journal of Applied Physics, 2024, 135
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A first-principles study of B3O3 monolayer as potential anode materials for calcium-ion batteries

Mustafa M. Kadhim, Ali Majdi, Safa K. Hachim, Sallalh. Ahmed Abdullaha, Taleeb Zedan Taban and Ahmed Mahdi Rheima

Korean J. Chem. Eng., 2023, 40, 1633
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Spectroscopic Evidence of New Low-Dimensional Planar Carbon Allotropes Based on Biphenylene via On-Surface Ullmann Coupling

Teng Zhang, Cesare Grazioli, Huixia Yang, Kaiyue Jiang, Iulia Emilia Brumboiu, Liangguang Jia, Liwei Liu, Carla Puglia, Xiaodong Zhuang and Yeliang Wang

Chemistry, 2021, 3, 1057
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Selective sensing of NH3 and CH2O molecules by novel 2D porous hexagonal boron oxide (B3O3) monolayer: A DFT approach

Najib Ur Rahman, Adnan Ali Khan, Rahmat Ullah, Rashid Ahmad and Iftikhar Ahmad

Surfaces and Interfaces, 2022, 29, 101767
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Application of B3O3 monolayer as an electrical sensor for detection of formaldehyde gas: A DFT study

Mustafa M. Kadhim, Naiser Sadoon, Hiba Ahmed Gheni, Safa K. Hachim, Ali Majdi, Sallal A.H. Abdullaha and Ahmed Mahdi Rheima

Computational and Theoretical Chemistry, 2023, 1219, 113941
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Persistent Homology to Quantify the Quality of Surface‐Supported Covalent Networks

Abraham Gutierrez, Mickaël Buchet and Sylvain Clair

ChemPhysChem, 2019, 20, 2286
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Synthesis and Biomedical Applications of Covalent Organic Frameworks for Disease Diagnosis and Therapy

Anyun Wang, Xinli Liu, Shujun Feng, Yanping Wang, Yujun Song and Yanfeng Gao

ChemBioChem, 2025, 26
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Conservation of Nickel Ion Single‐Active Site Character in a Bottom‐Up Constructed π‐Conjugated Molecular Network

Daniel Baranowski, Iulia Cojocariu, Alessandro Sala, Cristina Africh, Giovanni Comelli, Luca Schio, Massimo Tormen, Luca Floreano, Vitaliy Feyer and Claus M. Schneider

Angew Chem Int Ed, 2022, 61
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COF-based anode material for rechargeable Li-ion batteries

Akbar Omidvar

Synthetic Metals, 2023, 297, 117417
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Exploration of sensing behavior B3O3 quantum dot toward methyl halides; a quantum chemical approach

Naveen Kosar, Tariq Mahmood, Muhammad Adnan, Mohammed Salim Akhter, Mohammad Z. Ahmed and M. Raja

Computational and Theoretical Chemistry, 2024, 1239, 114783
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B3O3 monolayer with dual application in sensing of COVID-19 biomarkers and drug delivery for treatment purposes: A periodic DFT study

Rezvan Rahimi and Mohammad Solimannejad

Journal of Molecular Liquids, 2022, 354, 118855
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First-principles outlook of two-dimensional B3O3 monolayer as an anode material for non-lithium ion (K+, Ca2+, and Al3+) batteries

Sadegh Kaviani, Irina Piyanzina, Oleg V. Nedopekin and Dmitrii A. Tayurskii

Computational and Theoretical Chemistry, 2023, 1228, 114246
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Monolayer of B3O3 as a promising material in anode of magnesium-ion batteries: A theoretical study

Masar Ali Awad, Ali Majdi, Zainab S. Abbas, Mustafa M. Kadhim, Mohammed Abdul Hadi, Safa K. Hachim, Maysm barzan, Wesam R. Kadhum and Sallal A.H. Abdullaha

Computational and Theoretical Chemistry, 2023, 1220, 114008
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Unveiling the Potential of B3O3 Nanoflake as Effective Transporter for the Antiviral Drug Favipiravir: Density Functional Theory Analysis

Muhammad Nauman Zahid, Naveen Kosar, Hasnain Sajid, Khalid Elfaki Ibrahim, Mansour K. Gatasheh and Tariq Mahmood

Molecules, 2023, 28, 8092
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Two new members of the covalent organic frameworks family: Crystalline 2D-oxocarbon and 3D-borocarbon structures

Nasim Hassani, Atiyeh Movafegh-Ghadirli, Zabiollah Mahdavifar, Francois M. Peeters and Mehdi Neek-Amal

Computational Materials Science, 2024, 241, 113022
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Ab Initio Study of High-Capacity Hydrogen Storage in Lithium-Shrouded Honeycomb Borophene Oxide Nanosheet

Shaohua Lu, Simeng Zhang and Xiaojun Hu

J. Phys. Chem. C, 2022, 126, 20762
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A first-principles study of 3d transition-metal atoms embedded monolayer B3O3

Roya Majidi

Appl. Phys. A, 2023, 129
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A study combining DFT and molecular dynamics simulations into the performance of B6N6 nanosheets for CO2 capture and separation

Rezvan Rahimi and Mohammad Solimannejad

Appl. Phys. A, 2024, 130
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Oxygen‐Promoted on‐Surface Synthesis of Polyboroxine Molecules

Daniele Toffoli, Elia Turco, Matus Stredansky, Roberto Costantini, Martina Dell'Angela, Luca Floreano, Andrea Goldoni, Alberto Morgante, Gregor Kladnik, Dean Cvetko, Dimas G. de Oteyza, Luciano Colazzo, Mohammed S. G. Mohammed, Alessandro Sala, Giovanni Comelli, Cristina Africh, Giovanna Fronzoni, Gabriele Balducci, Mauro Stener, Hande Ustunel and Albano Cossaro

Chemistry A European J, 2024, 30
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Effective removal of toxic heavy metal ions from wastewater using boroxine covalent organic framework

Fei Li and Guang Zhang

Journal of Molecular Liquids, 2021, 336, 116326
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B3O3 monolayer an emerging 2D material in as a carrier for anticancer delivery system

Mustafa M. Kadhim, Ameer S. Sahib, Safa K. Hachim, Taleeb Zedan Taban, Sallah Ahmed Abdullaha and Ahmed Mahdi Rheima

Materials Chemistry and Physics, 2023, 296, 127158
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In silico study of B3O3 nanosheet as a disposable platform for sensing and delivery of carmustine anticancer drug

Rezvan Rahimi and Mohammad Solimannejad

Journal of Drug Delivery Science and Technology, 2023, 87, 104828
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From Chains to Arrays: Substrate-Mediated Self-Assembly of Diboron Molecules

Xiaoyu Hao, Huixia Yang, Mengmeng Niu, Tingting Wang, Hongyan Ji, Iulia Emilia Brumboiu, Cesare Grazioli, Ambra Guarnaccio, Albano Cossaro, Yan Li, Jingsi Qiao, Quanzhen Zhang, Liwei Liu, Teng Zhang and Yeliang Wang

Nanomaterials, 2024, 14, 1952
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Assessment of boroxine covalent organic framework as Li-ion battery anodes

Akbar Omidvar

Journal of Molecular Liquids, 2021, 339, 116822
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