BetaCitation Atlas

RESEARCH PAPER · Journal of Physics and Chemistry of Solids · 2021

Hydrogen as an energy currency: Encapsulation of inorganic Ga12N12 with alkali metals for efficient H2 adsorption as hydrogen storage materials

Muhammad Ramzan Saeed Ashraf Janjua

Read original paper ↗

See where this research leads.

60 direct citing papers in this saved network. Explore the next layer with second-order citations.

Open in your workspace →Saved 2026-10-12 · complete coverage
Filter Citing Papers
Press Enter or comma to add · × to remove · searches titles and available abstracts
Journals
All journals
Most represented first · select one or more
Explore Terms In These PapersHide SuggestionsShow Suggestions

Original and current center papers stay visible as anchors.
Numbers show citations received
42 direct citing works

Hydrogen as an energy currency: Encapsulation of inorganic Ga12N12 with alkali metals for efficient H2 adsorption as hydrogen storage materialsOriginalFormation of sandwich and multidecker complexes between O 2 and alkali/alkaline earth metals: a DFT study0Exploring the effect of end-capped modifications of carbazole-based fullerene-free acceptor molecules for high-performance indoor organic solar cell applications65Structure and Photoluminescence Properties of Dy3+ Doped Phosphor with Whitlockite Structure44Quantum chemical design and prediction that complements understanding: How do the transition metals enhance the CO2 sensing ability of inorganic Mg12O12 nanoclusters?47Theoretical investigation of functionalized fullerene nano carrier drug delivery of fluoxetine11Physicochemical insights and in silico designing of new fullerene-free acceptor molecules for highly efficient and stable organic solar cells2Physicochemical insights into the rational designing of new acceptor molecules by donor bridge modifications for efficient solar cells: In silico chemistry2A DFT Study of Halogen (F−, Cl−, and Br−) Encapsulated Ga12X12 (X = N, P, and As) Nanocages for Sodium-Ion Batteries10Photovoltaic properties and enhancement in near-infrared light absorption capabilities of acceptor materials for organic solar cell applications: A quantum chemical perspective via DFT89Density functional theory study of reversible hydrogen storage in monolayer beryllium hydride by decoration with boron and lithium35Chromate ions chemisorption over the exterior surface of pristine boron nitride (B12N12) nanocage: A computational study10Investigating the drug carrying ability of Al and Ga doped B12N12 nanocages for 5-fluorouracil based on DFT18Toward Site-Specific Interactions of nH2 (n = 1–4) with Ga12As12 Nanostructured for Hydrogen Storage Applications17Reactivity of 2,2‐disubstituted quinazolinone towards electrophilic substitution: First in silico design to verify experimental evidence of quinazolinone‐based new organic compounds1Transition Metal-Decorated Mg12O12 Nanoclusters as Biosensors and Efficient Drug Carriers for the Metformin Anticancer Drug25Molecular Modeling of Cu-, Ag-, and Au-Decorated Aluminum Nitride Nanotubes for Hydrogen Storage Application10Doping superalkalis on chlorine substituted coronene: Interactive design computation of new NLO materials for optoelectronics13Enhancing hydrogen storage performance of MgH2 through the addition of BaMnO3 synthesized via solid-state method58Metallized HOT-graphene: A novel reversible hydrogen storage medium with ultrahigh capacity24Impact of symmetry breaking on the performance of non-fullerene acceptors (NFAs) for photo and thermally stable organic solar cells (OSCs): A DFT-based interrogation and investigation36A DFT study on the promising hydrogen storage performance of a light metal atom-decorated ZnO monolayer41Geochemical modelling on the role of redox reactions during hydrogen underground storage in porous media95Fueling the future: A comprehensive review of hydrogen energy systems and their challenges782Predicting benzodithiophene based donor materials with enhanced 19.09% PCE, open-circuit voltage and optoelectronic attributes for solar cell applications: Photochemical insights from DFT60Progress and Advances in Porous Silica‐based Scaffolds for Enhanced Solid‐state Hydrogen Storage: A Systematic Literature Review27Enhancing hydrogen storage efficiency using nanomaterials0A Highly Stable Microporous Calcium-Based MOF for C2H2/CO2 Separation with Low Regenerative Energy21Cycloaddition reaction of methylidyne radical with dipyrromethanol: quantum chemical insights into the formation of di(pyridin-2-yl)methanol3Enhancing hydrogen adsorption through optimized magnesium dispersion on fibrous nano-silica scaffold: Kinetic and thermodynamic studies28First-principles investigation of Irida-graphene decorated with alkali metal for reversible hydrogen storage21Me–C8B5: A novel two-dimensional carbon boride as reversible hydrogen storage material with high capacity12Experimental and Mathematical Investigation of Hydrogen Absorption in LaNi5 and La0.7Ce0.1Ga0.3Ni5 Compounds6Role of the Quantum Interactions in H2 Adsorption on Late Transition Metal Chelated Linkers of Covalent Organic Frameworks3Hydrogen adsorption by borophene-metal (Li–Cs): A DFT study2A path to the formation of superacids HPtnF5n+1(n=1–3) and their ability to form supersalts by using the ab initio technique0Highlighting the Potential of Synergistic Cu–Pt Single-Atom Alloy Sub-nanoclusters for Enhanced H2 Adsorption: A DFT Investigation1Increasing the local electron density of carbons for enhanced O 2 activation at room temperature3Smart design of phenanthrene-based organic photovoltaics using machine learning6Hydrogen encapsulation properties of heteroatoms doped fullerenes: A DFT study for potential hydrogen storage application8Single-Step Ethylene Purification and MTO Product Separation in a Nitrogen-Rich Microporous Metal–Organic Framework14First principle study on the physical properties of ternary hydride perovskites XRhH3 (X=Li, Na, K and Rb) as hydrogen storage materials64Metal-cluster (Be, Sc, Ti) decorated C24 nanocages and their hydrogen storage performance6Hydrogen sensing and storage on the metal-complexes of calix[4]arene derivative: A combinatorial study on density functional theory, perturbation theory and molecular dynamics1Carbon Materials for Hydrogen Storage: A Bibliometric Analysis on Current Trends and Future Prospects10Calcium-decorated boron-carbide T-graphene nanocage for hydrogen storage: A DFT study6First Example of Alkali Metal (Na, K, Li) Encapsulated Zn12Se12Nanoclusters as Efficient Hydrogen Storage Materials: A DFT-D3 Study for Sustainable Hydrogen Storage Solutions1Energy performance evaluation and life cycle assessment on a novel hydrogen storage system with cryo-adsorption approach using MOF6The Computational Study of Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI)7Artificial Intelligence in Organic Photovoltaics: Predicting Power Conversion Efficiency From the Molecular Chemical Structure of (Donor/Acceptor) Pairs5Effect of transition metal on the physical and hydrogen storage properties of the dynamically stable novel ARhH3 (A = Mg, Ca, and Sr) hydrides for solid-state hydrogen storage application: A DFT and AIMD study41Light-metal decorated titanium disulfide as an efficient hydrogen storage material: A DFT Study7The hydrogen revolution in diesel engines: A comprehensive review of performance, combustion, and emissions13Data-driven design of polymers for possible use for fluorescent applications2Beyond Kubas and anti-Kubas: an electrostatically driven pathway for quasi-molecular hydrogen adsorption in ribose and deoxyribose0Environmental Remediation of Methyl Bromide Using Alkali Metal–Encapsulated Al 12 N 12 Nanocages: A DFT Insight0Metal-free quasi-molecular hydrogen adsorption on DNA nucleobases: a first-principles investigation0Establishing a hydrazine sensor based on doped magnesium oxide nano-cage: DFT-D3 and TD-DFT calculations0Machine Learning-Assisted Discovery of Thermally Activated Delayed Fluorescence Emitters1Effect of cation substitution on the physical and hydrogen storage properties of XNi3H8 (X = Mn, Fe, Co) complex hydrides: A first-principles study0Tuning hydrogen dissociation on Zn12O12 nanocages via first-row transition metal encapsulation: DFT insights for hydrogen storage0

Arrows point to the paper being cited. Selecting a paper shows its incoming citations and its known path back to the original paper.

Drag to pan · Use + / − to zoom · Escape to close43 nodes / 53 citation links
Browse Matching Papers

Papers that cite this work

60 direct citing papers saved. Showing the first 50 here; use Browse Matching Papers in the map for all loaded papers.

  1. Formation of sandwich and multidecker complexes between O 2 and alkali/alkaline earth metals: a DFT study

    New Journal of Chemistry · 2022-01-01

    Kabery Barman, Bhabesh Ch. Deka, Siddhartha K. Purkayastha, P. Bhattacharyya

    Read original paper ↗ ·

  2. Exploring the effect of end-capped modifications of carbazole-based fullerene-free acceptor molecules for high-performance indoor organic solar cell applications

    Journal of Computational Electronics · 2022-01-03

    Muhammad Hamza Haroon, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  3. Structure and Photoluminescence Properties of Dy3+ Doped Phosphor with Whitlockite Structure

    Materials · 2022-03-15

    Wanjuan Tang, Qingfeng Guo, Ke Su, Haikun Liu, Yuanyuan Zhang, Lefu Mei, Libing Liao

    Read original paper ↗ ·

  4. Quantum chemical design and prediction that complements understanding: How do the transition metals enhance the CO2 sensing ability of inorganic Mg12O12 nanoclusters?

    Journal of Physics and Chemistry of Solids · 2022-05-13

    Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  5. Theoretical investigation of functionalized fullerene nano carrier drug delivery of fluoxetine

    Journal of the Indian Chemical Society · 2022-06-07

    Shiva Tavakoli, Sayed Ali Ahmadi, Dadkhoda Ghazanfari, Enayatollah Sheikhhosseini

    Read original paper ↗ ·

  6. Physicochemical insights and in silico designing of new fullerene-free acceptor molecules for highly efficient and stable organic solar cells

    Journal of Physics and Chemistry of Solids · 2022-06-11

    Muhammad Bilal Zeshan, Nargis Sultana, Muhammad Ilyas Tariq, Saba Jamil, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  7. Physicochemical insights into the rational designing of new acceptor molecules by donor bridge modifications for efficient solar cells: In silico chemistry

    Journal of Physical Organic Chemistry · 2022-06-15

    Muhammad Hamza Haroon, Wajiha Fatima, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  8. A DFT Study of Halogen (F−, Cl−, and Br−) Encapsulated Ga12X12 (X = N, P, and As) Nanocages for Sodium-Ion Batteries

    Journal of Inorganic and Organometallic Polymers and Materials · 2022-07-09

    Parimala devi Duraisamy, S. Prince Makarios Paul, Praveena Gopalan, Selvarengan Paranthaman, Abiram Angamuthu

    Read original paper ↗ ·

  9. Photovoltaic properties and enhancement in near-infrared light absorption capabilities of acceptor materials for organic solar cell applications: A quantum chemical perspective via DFT

    Journal of Physics and Chemistry of Solids · 2022-09-14

    Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  10. Density functional theory study of reversible hydrogen storage in monolayer beryllium hydride by decoration with boron and lithium

    International Journal of Hydrogen Energy · 2022-12-07

    Ali Naderizadeh, Seyyed Mahdy Baizaee, Hamideh Kahnouji

    Read original paper ↗ ·

  11. Chromate ions chemisorption over the exterior surface of pristine boron nitride (B12N12) nanocage: A computational study

    Inorganic Chemistry Communications · 2022-12-30

    Abdul Waheed Kamran, Muhammad Zahoor, Hazrat Ali, Sikandar Khan, Hazem Abu‐Farsakh, Sajjad Ali

    Read original paper ↗ ·

  12. Investigating the drug carrying ability of Al and Ga doped B12N12 nanocages for 5-fluorouracil based on DFT

    New Journal of Chemistry · 2023-01-01

    ShiQuan Wu, Li Li, Qi-Qi Liang, Hua-Xu Gao, De‐Yuan Hu, Tianyu Tang, Yan-Lin Tang

    Read original paper ↗ ·

  13. Toward Site-Specific Interactions of nH2 (n = 1–4) with Ga12As12 Nanostructured for Hydrogen Storage Applications

    Energy & Fuels · 2023-01-09

    Udochukwu G. Chukwu, Hitler Louis, Henry Okon Edet, Tomsmith O. Unimuke, Praise O. Olagoke, Adedapo Sunday Adeyinka

    Read original paper ↗ ·

  14. Reactivity of 2,2‐disubstituted quinazolinone towards electrophilic substitution: First in silico design to verify experimental evidence of quinazolinone‐based new organic compounds

    Journal of Physical Organic Chemistry · 2023-01-20

    Nargis Sultana, Muhammad Sarfraz, Sidra Akram, Umer Rashid, Syed Ali Raza Naqvi, Muhammad Ilyas Tariq, Khalid Mahmood Zia, Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  15. Transition Metal-Decorated Mg12O12 Nanoclusters as Biosensors and Efficient Drug Carriers for the Metformin Anticancer Drug

    ACS Omega · 2023-03-15

    Muhammad Nadeem Arshad, Shafia Arshad, Muhammad Kashif Majeed, Johannes Frueh, Chun Chang, Ibtsam Bilal, Shah Iram Niaz, Muhammad Shahzeb Khan, Muhammad Adeel Tariq, Muhammad Yasir Mehboob

    Read original paper ↗ ·

  16. Molecular Modeling of Cu-, Ag-, and Au-Decorated Aluminum Nitride Nanotubes for Hydrogen Storage Application

    ACS Applied Energy Materials · 2023-04-12

    Ededet A. Eno, Hitler Louis, Precious S. Akpainyang, Onyinye Joy Ikenyirimba, Tomsmith O. Unimuke, Offiong E. Offiong, Adedapo Sunday Adeyinka

    Read original paper ↗ ·

  17. Doping superalkalis on chlorine substituted coronene: Interactive design computation of new NLO materials for optoelectronics

    Journal of Photochemistry and Photobiology A Chemistry · 2023-05-01

    Fazilat Bano, Junaid Yaqoob, Riaz Hussain, Mohamed Bourass, Norah Saad Alhokbany, Zunaira Shafiq, Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Usman Khan

    Read original paper ↗ ·

  18. Enhancing hydrogen storage performance of MgH2 through the addition of BaMnO3 synthesized via solid-state method

    International Journal of Hydrogen Energy · 2023-05-09

    N.A. Sazelee, Nurul Amirah Ali, Muhammad Syarifuddin Yahya, Muhamad Faiz Md Din, Mohammad Ismail

    Read original paper ↗ ·

  19. Metallized HOT-graphene: A novel reversible hydrogen storage medium with ultrahigh capacity

    International Journal of Hydrogen Energy · 2023-06-04

    Meijuan Cheng, Dongliang Chen, Rundong Chen, Weilong Liu, Qiubao Lin, Zi‐Zhong Zhu

    Read original paper ↗ ·

  20. Impact of symmetry breaking on the performance of non-fullerene acceptors (NFAs) for photo and thermally stable organic solar cells (OSCs): A DFT-based interrogation and investigation

    Journal of Photochemistry and Photobiology A Chemistry · 2023-07-04

    Muhammad Ramzan Saeed Ashraf Janjua

    Read original paper ↗ ·

  21. A DFT study on the promising hydrogen storage performance of a light metal atom-decorated ZnO monolayer

    International Journal of Hydrogen Energy · 2023-07-06

    Shulin Yang, Huan Yin, Gui Lei, Zhigao Lan, Zhao Wang, Huoxi Xu, Haoshuang Gu

    Read original paper ↗ ·

  22. Geochemical modelling on the role of redox reactions during hydrogen underground storage in porous media

    International Journal of Hydrogen Energy · 2023-07-12

    S. L. Zhan, Lingping Zeng, Ahmed Zarzor Al-Yaseri, Mohammad Sarmadivaleh, Quan Xie

    Read original paper ↗ ·

  23. Fueling the future: A comprehensive review of hydrogen energy systems and their challenges

    International Journal of Hydrogen Energy · 2023-08-19

    Thanh Tuan Le, Prabhakar Sharma, Bhaskor Jyoti Bora, Việt Dũng Trần, Thanh Hai Truong, Huu Cuong Le, Phuoc Quy Phong Nguyen

    Read original paper ↗ ·

  24. Predicting benzodithiophene based donor materials with enhanced 19.09% PCE, open-circuit voltage and optoelectronic attributes for solar cell applications: Photochemical insights from DFT

    Journal of Photochemistry and Photobiology A Chemistry · 2023-08-28

    Muhammad Usman Khan, Faiza Shafiq, Muhammad Ramzan Saeed Ashraf Janjua, Muhammad Khalid, Junaid Yaqoob, Muhammad Arshad, Saad M. Alshehri, Rais Ahmad Khan

    Read original paper ↗ ·

  25. Progress and Advances in Porous Silica‐based Scaffolds for Enhanced Solid‐state Hydrogen Storage: A Systematic Literature Review

    Chemistry - An Asian Journal · 2023-11-24

    Bashir Abubakar Abdulkadir, Aishah Abdul Jalil, Chin Kui Cheng, Herma Dina Setiabudi

    Read original paper ↗ ·

  26. Enhancing hydrogen storage efficiency using nanomaterials

    Elsevier eBooks · 2024-01-01

    Beatriz Jacob Furlan, Rafael Silva Ribeiro Gonçalves, Lauber Martins, Juan Carlos Ordóñez, JOSÉ VIRIATO COELHO VARGAS, Paulo Alexandre Silveira da Silva

    Read original paper ↗ ·

  27. A Highly Stable Microporous Calcium-Based MOF for C2H2/CO2 Separation with Low Regenerative Energy

    Inorganic Chemistry · 2024-04-22

    Lulu Zhang, Feifan Lang, Xiao‐Juan Xi, Shunxian Yin, Jiandong Pang, Wenjun Zheng, Xian‐He Bu

    Read original paper ↗ ·

  28. Cycloaddition reaction of methylidyne radical with dipyrromethanol: quantum chemical insights into the formation of di(pyridin-2-yl)methanol

    Spectroscopy Letters · 2024-05-16

    Shipra Pandit, Manas Ranjan Dash

    Read original paper ↗ ·

  29. Enhancing hydrogen adsorption through optimized magnesium dispersion on fibrous nano-silica scaffold: Kinetic and thermodynamic studies

    Microporous and Mesoporous Materials · 2024-06-26

    Bashir Abubakar Abdulkadir, Mohammad Ismail, Herma Dina Setiabudi

    Read original paper ↗ ·

  30. First-principles investigation of Irida-graphene decorated with alkali metal for reversible hydrogen storage

    Computational and Theoretical Chemistry · 2024-07-14

    Lihua Yuan, Mengjia Shi, Junyan Su, Daobing Wang, Haimin Zhang, Jijun Gong, Jinyuan Ma

    Read original paper ↗ ·

  31. Me–C8B5: A novel two-dimensional carbon boride as reversible hydrogen storage material with high capacity

    International Journal of Hydrogen Energy · 2024-08-01

    Yilin Gong, Dongliang Chen, Bangmin Guo, Sen Chen, Zi‐Zhong Zhu, Meijuan Cheng

    Read original paper ↗ ·

  32. Experimental and Mathematical Investigation of Hydrogen Absorption in LaNi5 and La0.7Ce0.1Ga0.3Ni5 Compounds

    Metals · 2024-08-27

    Sihem Belkhiria, Abdulrahman Alsawi, Ibtissem Hraiech, Mohamed Houcine Dhaou, Abdelmajid Jemni

    Read original paper ↗ ·

  33. Role of the Quantum Interactions in H2 Adsorption on Late Transition Metal Chelated Linkers of Covalent Organic Frameworks

    ChemPhysChem · 2024-09-06

    Himani Joshi, Srimanta Pakhira

    Read original paper ↗ ·

  34. Hydrogen adsorption by borophene-metal (Li–Cs): A DFT study

    Materials Today Communications · 2024-10-06

    Marisol Ibarra‐Rodríguez, Paul P Horley, R. García, Mario Sánchez

    Read original paper ↗ ·

  35. A path to the formation of superacids HPtnF5n+1(n=1–3) and their ability to form supersalts by using the ab initio technique

    Journal of the Indian Chemical Society · 2024-12-15

    Vijay Singh, Divyanshi Shukla, Apoorva Dwivedi, D.D. Dubey, Sugriva Nath Tiwari, Said Ali Hamad Vuai, Anoop Kumar Pandey

    Read original paper ↗ ·

  36. Highlighting the Potential of Synergistic Cu–Pt Single-Atom Alloy Sub-nanoclusters for Enhanced H2 Adsorption: A DFT Investigation

    ACS Nanoscience Au · 2024-12-16

    João Paulo Cerqueira Felix, Wanderson Souza Araújo, João Marcos T. Palheta, Jônatas Favotto Dalmedico, Fabiano Pereira de Oliveira, Alexandre Cavalheiro Dias, Diego Guedes‐Sobrinho, Celso R. C. Rêgo, Renato L. T. Parreira, Maurício J. Piotrowski

    Read original paper ↗ ·

  37. Increasing the local electron density of carbons for enhanced O 2 activation at room temperature

    Physical Chemistry Chemical Physics · 2025-01-01

    Yukun Pan, Hai Xu, Lekang Cui, Zhiqiang Zhao, Wennan Du, Jiayuan Ye, Bo Niu, Yayun Zhang, Donghui Long

    Read original paper ↗ ·

  38. Smart design of phenanthrene-based organic photovoltaics using machine learning

    New Journal of Chemistry · 2025-01-01

    Hussein Ali Kadhim Kyhoiesh, Azal S. Waheeb, Ashraf Y. Elnaggar, Mustafa Al-Khafaji, Islam H. El Azab, Mohamed El Khalil Med Mahmoud, Mohammed F. Alomari, Zainab Ahmed Abass

    Read original paper ↗ ·

  39. Hydrogen encapsulation properties of heteroatoms doped fullerenes: A DFT study for potential hydrogen storage application

    Diamond and Related Materials · 2025-01-16

    Idongesit Justina Mbonu, Musa Runde, Destiny E. Charlie, Karwan Wasman Qadir

    Read original paper ↗ ·

  40. Single-Step Ethylene Purification and MTO Product Separation in a Nitrogen-Rich Microporous Metal–Organic Framework

    Inorganic Chemistry · 2025-01-29

    Xinyu Ding, Wei Wang, Suer Guo, Shangyu Wang, Meng Chen, Xingge He, Haitian Zhao, Junyang Jiang, Yu Wang, Yuxiang Liu, Ranran He, Li-Wei Han, Mingxing Zhang

    Read original paper ↗ ·

  41. First principle study on the physical properties of ternary hydride perovskites XRhH3 (X=Li, Na, K and Rb) as hydrogen storage materials

    International Journal of Hydrogen Energy · 2025-02-08

    Yifei Du, Ruijie Song, Shanjun Chen, Yan Chen, Shijie Zhang, Weibin Zhang

    Read original paper ↗ ·

  42. Metal-cluster (Be, Sc, Ti) decorated C24 nanocages and their hydrogen storage performance

    Carbon Trends · 2025-05-23

    K.B. Nerkar, Poonam Parkar, Ajay Chaudhari

    Read original paper ↗ ·

  43. Hydrogen sensing and storage on the metal-complexes of calix[4]arene derivative: A combinatorial study on density functional theory, perturbation theory and molecular dynamics

    International Journal of Hydrogen Energy · 2025-05-31

    Numan Yüksel, Mehmet Ferdi Fellah

    Read original paper ↗ ·

  44. Carbon Materials for Hydrogen Storage: A Bibliometric Analysis on Current Trends and Future Prospects

    Environmental Quality Management · 2025-06-01

    Mohammed Faraj Saeid, Bashir Abubakar Abdulkadir, Muhammad Ashraf Fauzi, Herma Dina Setiabudi

    Read original paper ↗ ·

  45. Calcium-decorated boron-carbide T-graphene nanocage for hydrogen storage: A DFT study

    Journal of Physics and Chemistry of Solids · 2025-06-06

    Imran Hasan, Suranjana V. Mayani‎, Suhas Ballal, Abhayveer Singh, Shaker Al-Hasnaawei, Thangavelu Krithiga, Subhashree Ray, Kamal Kant Joshi

    Read original paper ↗ ·

  46. First Example of Alkali Metal (Na, K, Li) Encapsulated Zn12Se12Nanoclusters as Efficient Hydrogen Storage Materials: A DFT-D3 Study for Sustainable Hydrogen Storage Solutions

    Journal of Computational Biophysics and Chemistry · 2025-06-12

    Nora Hamad Al‐Shaalan, Muhammad Usman Khan, Sehar Nadeem, Abida Anwar, Muhammad Ramzan Saeed Ashraf Janjua, Amjad Hussain, Mohammed A. Amin

    Read original paper ↗ ·

  47. Energy performance evaluation and life cycle assessment on a novel hydrogen storage system with cryo-adsorption approach using MOF

    Chemical Engineering Journal · 2025-07-05

    Kaiyin Yang, Zhuohang Zhang, Xinyan Zhang, Qin Wang, Xinyue Hao, Gongran Ye, Jielin Luo, Hongxing Yang

    Read original paper ↗ ·

  48. The Computational Study of Optoelectronic Properties of Perylene Diimide and Nucleotide Supramolecular Complex (GMP:PDI)

    The Journal of Physical Chemistry A · 2025-07-09

    Ali Raza Ayub, Karim Youssef Nabat, Salba, Javed Iqbal M, Hui Li

    Read original paper ↗ ·

  49. Artificial Intelligence in Organic Photovoltaics: Predicting Power Conversion Efficiency From the Molecular Chemical Structure of (Donor/Acceptor) Pairs

    Engineering Reports · 2025-08-01

    Khoukha Khoussa, Larbi Boubchir, Patrick Lévêque

    Read original paper ↗ ·

  50. Effect of transition metal on the physical and hydrogen storage properties of the dynamically stable novel ARhH3 (A = Mg, Ca, and Sr) hydrides for solid-state hydrogen storage application: A DFT and AIMD study

    Fuel Processing Technology · 2025-08-22

    Md. Rabbi Talukder, Md. Rasidul Islam

    Read original paper ↗ ·
More citing papers →
Citation Atlas · A map of research, not a ranking.