Aluminium phosphide (Al12P12) nanocage as a potential sensor for volatile organic compounds: A DFT study

Mahmoud A. A. Ibrahim, Manar H. A. Hamad, Nayra A. M. Moussa, Omar H. Abd-Elkader, Shaban R. M. Sayed, Muhammad Naeem Ahmed, Ahmed M. Awad and Tamer Shoeib

RSC Adv., 2024, 14, 13915
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Tailoring adsorbents for levodopa detection: a DFT study on Pt-encapsulated fullerene systems

Wendy Maxakato, Miracle N. Ogbogu, Adebayo P. Adeleye, Ismail O. Amodu, Innocent Benjamin and Henry O. Edet

RSC Adv., 2024, 14, 27424
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Dehydrogenation of ammonia–borane to functionalize neutral and Li+-encapsulated C60, C70and C36fullerene cages: a DFT approach

Avik Ghosh, Soumadip Banerjee, Tanay Debnath and Abhijit K. Das

Phys. Chem. Chem. Phys., 2022, 24, 4022
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DFT investigation of dye adsorption on pristine and doped graphdiyne: toward efficient removal of disperse yellow 3 from wastewater

Mohamed M. Aboelnga, Mariam M. Seliem, Elsayed El-Bayoumy and Mohsen El-Tahawy

Nanoscale Adv., 2025, 7, 7363
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Fullerene-enhanced Raman scattering: ZnO-covered C60 as ultrasensitive CO gas sensor

A. Zamudio-Ojeda, S. J. Guevara-Martínez, J. G. Rodríguez-Zavala and R. A. Guirado-López

Phys. Chem. Chem. Phys., 2025, 27, 14113
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Physicochemical Characteristics and Prospects of Carbon Nanomaterials and Composites for Gas Sorption

Nazym Asanbek, Almagul Kerimkulova, Leticia F. Velasco, Aitugan Sabitov, Meiram Atamanov, Yersultan Yermoldanov, Yerlan Doszhanov and Guzal Ismailova

Applied Sciences, 2026, 16, 1587
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RETRACTED: Probing the Reactions of Thiourea (CH4N2S) with Metals (X = Au, Hf, Hg, Ir, Os, W, Pt, and Re) Anchored on Fullerene Surfaces (C59X)

Hitler Louis, Destiny E. Charlie, Ismail O. Amodu, Innocent Benjamin, Terkumbur E. Gber, Ernest C. Agwamba and Adedapo S. Adeyinka

ACS Omega, 2022, 7, 35118
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Effect of d-block metals (M = Ti, Zr, Hf) decorated fullerenes M@C60 as sensor nanostructured materials for volatile organic compounds (VOCs): Approach from computational study

Victoria M. Bassey, Terkumbur E. Gber, Immaculata J. Ikot, Asad Syed, Goodness J. Ogunwale, Moses M. Edim, Muyiwa M. Orosun and Hitler Louis

Inorganic Chemistry Communications, 2024, 160, 111892
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Effects of silver nanoparticles on seed germination and seedling growth: A review

Nur Qistina Abdul Razak, Muhammad Hasnun Md Yusoff, Wan Nor Adlina Abdul Aziz, Mohd Lias Kamal, Sharizal Hasan, Noor Hafizah Uyup, Muhammad Azhar Zulkffle, Nur Ain Mohamed Hussin and Muhammad Hakimin Shafie

Journal of the Indian Chemical Society, 2023, 100, 100866
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Comparison between thermal and plasma-enhanced atomic layer deposition of ZnO on fullerene powder for photocatalytic dye removal

Regina Del Sole, Antonella Milella, Francesco Fracassi, Paola Parlanti, Mauro Gemmi, Anna Maria Coclite, Francesco Nocito, Angela Dibenedetto and Fabio Palumbo

Materials Research Bulletin, 2026, 193, 113659
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Computational insights into the electronic structure and adsorption properties of CN, CNCl, and NO2 on metal (Na, Zn, and Al,) doped fullerene surfaces

Fredrick C. Asogwa, Cynthia C. Igwe, Henry O. Edet, Alexander I. Ikeuba, Anna Imojara, Godwin O. Igomah and Diana O. Odey

Chem. Pap., 2024, 78, 8789
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Superoxide ion (O2−) adsorption on C20 fullerene: A DFT study for antioxidant material design

Gabriel García-Laiton, Alejandro B.D. Mora-González, Alexia K. Magadán-Cuatlayol, Fernando A. Zubieta López and Ernesto Chigo-Anota

Diamond and Related Materials, 2026, 163, 113372
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Detection of hydroxymethanesulfonate (HMS) by transition metal-anchored fullerene nanoclusters

Hitler Louis, Terkumbur E. Gber, Destiny E. Charlie, ThankGod C. Egemonye and Muyiwa M. Orosun

J IRAN CHEM SOC, 2023, 20, 713
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Alkaline Stable and Mechanically Robust Interpenetrating Polymer Network Type Anion Exchange Membrane for High‐Performance Alkaline Electrolyzer

Sarthak Mishra, Shubham Mishra, Riddhi Sainda, Prafulla K. Jha and Vaibhav Kulshrestha

Small, 2025, 21
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Density functional theory-based analyses on selective gas separation by β-PVDF-supported ionic liquid membranes

Ranjini Sarkar and Tarun Kumar Kundu

Journal of Molecular Graphics and Modelling, 2021, 108, 108004
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Simulation of Interaction Processes of C20 Fullerene with Graphene

Ishmumin D. Yadgarov, Farid F. Umarov, Asroriddin S. Kosimov, Khayitmurod I. Jabborov and Shodibek Y. Aminov

East Eur. J. Phys., 2023, 226
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Carbon Nanostructures Doped with Transition Metals for Pollutant Gas Adsorption Systems

J. Ramirez-de-Arellano, M. Canales and L. Magaña

Molecules, 2021, 26, 5346
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The functional role of different carbon/semiconducting oxide hybrid nanostructures for photoelectrochemical (PEC) water splitting

Anju P. Manoj, Pravisha V. Pradeep, M.P. Shabana, K.S. Anagha and Vivek Ramakrishnan

Sustainable Chemistry for Energy Materials, 2026, 3, 100031
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A DFT study of Mg9O9 nanoring for gas sensing and removal applications

Riddhi Sainda, Darshil Chodvadiya and Prafulla K. Jha

Journal of Molecular Liquids, 2024, 397, 124121
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Molecular adsorption of butene isomers on hydrogenated fullerite C24 nanosheets based on first-principles study

V. Nagarajan, Rajamahanthi Tejaswini and R. Chandiramouli

Molecular Physics, 2025, 123
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DFT study of interaction of acetylene and C70 fullerene molecules

Oksana S. Kremen, Igor B. Bychko, Victor V. Lobanov and Peter E. Strizhak

Chemical Physics Impact, 2025, 11, 100961
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Adsorption profiles of chlorinated industrial gases on metal (Cu, Mn and Ni) doped fullerenes using DFT, QTAIM and NCI analysis

Fredrick C. Asogwa, Hitler Louis, Veronica Asuquo, Henry O. Edet, Daniel Oche and Adedapo S. Adeyinka

Chem. Pap., 2024, 78, 1303
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Dimensionality and charge states in CeO2 surface defects: A theoretical analysis using reactivity/stability descriptors with NO as the test molecule

Walter Reimers, Julian Juan, Pablo Bechthold and Romina Luna

Materials Today Communications, 2025, 45, 112358
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Stimulation in fullerene for adsorbing pollutant gases: A review

Pratibha S Agrawal, Pramod N Belkhode, Dipika S Brijpuriya, Shiva P Gouda and Samuel Lalthazuala Rokhum

Chemical Physics Impact, 2023, 6, 100156
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Mapping structure-property relationships in fullerene systems: a computational study from C20 to C60

Bin Liu, Jirui Jin and Mingjie Liu

npj Comput Mater, 2024, 10
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