Hydrogen Storage Capacity of Lead-Free Perovskite NaMTH3(MT=Sc, Ti, V): A DFT Study

QR Code

Hydrogen Storage Capacity of Lead-Free Perovskite NaMTH3(MT=Sc, Ti, V): A DFT Study

Hydrogen is a promising clean energy carrier, but its storage is challenging. In this study, we investigate the potential of NaMTH3 (MT=Sc, Ti, V) hydride perovskite as solid-state hydrogen storage material. Using density functional theory (DFT), we comprehensively analyze their structural, hydrogen...

Full description

Bibliographic Details
Published in:	International Journal of Energy Research
Main Author:	Ur Rehman Z.; Rehman M.A.; Alomar S.Y.; Rehman B.; Awais M.; Amjad M.; Sikiru S.; Ali E.M.; Hamad A.
Format:	Article
Language:	English
Published:	Wiley-Hindawi 2024
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85187557179&doi=10.1155%2f2024%2f4009198&partnerID=40&md5=ac88d4cc9df21474f77a85d07895f76b

Similar Items

Hydrogen Storage Capacity of Lead-Free Perovskite NaMTH3(MT=Sc, Ti, V): A DFT Study
by: 2-s2.0-85187557179
Published: (2024)

Hydrogen integration in power grids, infrastructure demands and techno-economic assessment: A comprehensive review
by: Sikiru S.; Adedayo H.B.; Olutoki J.O.; Rehman Z.U.
Published: (2024)

Harnessing AI for sustainable higher education: ethical considerations, operational efficiency, and future directions
by: Khan, et al.
Published: (2025)

An Advanced Deep Learning Framework for Skin Cancer Classification
by: Khan, et al.
Published: (2025)

Harnessing AI for sustainable higher education: ethical considerations, operational efficiency, and future directions
by: Khan S.; Mazhar T.; Shahzad T.; Khan M.A.; Rehman A.U.; Saeed M.M.; Hamam H.
Published: (2025)

Design and synthesis of various 1,3,4-oxadiazoles as AChE and LOX enzyme inhibitors
by: Iqbal J.; Mallhi A.I.; Ur Rehman A.; Al-Mijalli S.H.; Un-Nisa M.; Zafar F.; Shahzad S.; Rasool S.; Iqbal M.; Shah S.A.A.
Published: (2023)

Structural, electronic and optical studies of Sr2NiTeO6 double perovskite by first-principle DFT–LDA + U calculation
by: 2-s2.0-85128275541
Published: (2022)

Synthesis of acetamide derivatives of 1,2,4-triazole bearing azinane and their binding interactions with bovine serum albumin using spectroscopic techniques
by: Iqbal J.; Ur-Rehman A.; Abbasi M.A.; Siddiqui S.Z.; Khalid H.; Laulloo S.J.; Joondan N.; Taupass A.B.; Rasool S.; Shah S.A.A.
Published: (2018)

Utilization of Waste Animal Fat for Sustainable Biodiesel Production
by: Arshad M.; Syed-Hassan S.S.A.; Masood R.; Ansari A.R.; Mumtaz A.; Rahman A.; Batool S.; Atif F.A.; Muhammad A.; Ur Rehman A.; Tahir A.; Saba I.
Published: (2023)

Casting light on synthetic, SC-XRD and quantum mechanical studies for 2,1-benzothiazine based bis-adducts
by: 2-s2.0-85138472089
Published: (2023)

The dilemma of millennial Muslims towards financial management: an Islamic financial literacy perspective
by: Osman I.; Syed Alwi S.F.; Rehman M.A.; Muda R.; Hassan F.; Hassan R.; Abdullah H.
Published: (2024)

Synthesis and in silico study of 2-furyl(4-{4-[(substituted)sulfonyl]benzyl}-1-piperazinyl)methanone derivatives as suitable therapeutic agents
by: Hussain G.; Abbasi M.A.; Aziz-ur-Rehman; Siddiqui S.Z.; Shah S.A.A.; Ashraf M.; Qurat-ul-Ain; Ahmad I.; Malik R.; Lodhi M.A.; Khan F.A.; Shahid M.; Fatima H.
Published: (2017)

Defect Engineering at Buried Interface of Perovskite Solar Cells
by: Mohamad Noh M.F.; Arzaee N.A.; Harif M.N.; Mat Teridi M.A.; Mohd Yusoff A.R.B.; Mahmood Zuhdi A.W.
Published: (2024)

The relationship between students' absorptive capacity and motivation on knowledge transfer in Malaysian community colleges
by: Nazri M.N.M.; Nor N.M.; Daud N.M.
Published: (2011)

Prediction of axial limit capacity of stone columns using dimensional analysis
by: Nazaruddin A.T.; Mohamed Z.; Mohd Azizul L.; Hafez M.A.
Published: (2017)

Defect Engineering at Buried Interface of Perovskite Solar Cells
by: 2-s2.0-85196535668
Published: (2024)

Antioxidant capacity and nitrosation inhibition of cruciferous vegetable extracts
by: Amron N.A.; Konsue N.
Published: (2018)

Determining the moderating impact of lecturer support on the relationship between students' absorptive capacity, motivation and knowledge transfer
by: Nor M.N.M.; Nor N.M.; Daud N.M.; Kamaruddin B.H.
Published: (2012)

Mechanical and optical properties of polymeric nitrogen achieved by compression: DFT study
by: 2-s2.0-85114121477
Published: (2021)

Effect of Spinning Rate on the Performance of Multilayer Bi-perovskite Solar Cells
by: 2-s2.0-85126150163
Published: (2021)

Antioxidant activity of hispidin oligomers from medicinal fungi: A dft study
by: 2-s2.0-84897016999
Published: (2014)

Political Economy of Malaysia’s Industrial Policy: Institutional Capacity and the Automotive Industry
by: Suffian F.
Published: (2021)

Multibeam RF antenna solution for capacity enhancement in stadium Shah Alam
by: 2-s2.0-85063449538
Published: (2018)

Hirshfeld, surface analysis, DFT and corrosion inhibition mechanism of vanillin 4-ethylthiosemicarbazone on mild steel in 1M HCl
by: Baharin N.A.N.K.; Ghazali S.A.I.S.M.; Razak F.I.A.; Sirat S.S.; Tajuddin A.M.; Kamarudin S.R.M.; Dzulkifli N.N.
Published: (2025)

Influence of Anti-Solvents on the Performance of Cesium Bismuth Iodide Perovskite Solar Cells
by: 2-s2.0-85169089765
Published: (2023)

The immunomodulation potential of the synthetic derivatives of benzothiazoles: Implications in immune system disorders through in vitro and in silico studies
by: Khan K.M.; Mesaik M.A.; Abdalla O.M.; Rahim F.; Soomro S.; Halim S.A.; Mustafa G.; Ambreen N.; Khalid A.S.; Taha M.; Perveen S.; Alam M.T.; Hameed A.; Ul-Haq Z.; Ullah H.; Rehman Z.U.; Siddiqui R.A.; Voelter W.
Published: (2016)

DFT, Fukui indices, and molecular dynamic simulation studies on corrosion inhibition characteristics: a review
by: Razali N.Z.K.; Wan Hassan W.N.S.; Sheikh Mohd Ghazali S.A.I.; Mohd Shotor S.N.; Dzulkifli N.N.
Published: (2024)

Tailoring structure, optical absorption, and dielectric performance in Mn-doped La2NiRu1-xMnxO6 double perovskites
by: Rafie, et al.
Published: (2025)

Cage-Like Porous Prussian Blue as High-Capacity Cathode for Sodium-Ion Batteries
by: 2-s2.0-85127583357
Published: (2022)

Study on antioxidant capacity and phenolic content of various parts of wax gourd (Benincasa hispida)
by: 2-s2.0-84867686700
Published: (2012)

Impact of Mn doping on structural, optical and dielectric properties of titanium-based double perovskite La2CuTi1-xMnxO6
by: Rafie M.S.M.; Mahat A.M.; Halizan M.Z.M.; Musyarofah M.; Mohamed Z.
Published: (2025)

Isolation, crystal structure, DFT calculation and molecular docking of uncinatine-A isolated from Delphinium uncinatum
by: 2-s2.0-85138541112
Published: (2022)

DFT + U calculations for electronic, structural, and optical properties of ZnO wurtzite structure: A review
by: 2-s2.0-85075760738
Published: (2020)

XPS and DFT investigations of corrosion inhibition of substituted benzylidene Schiff bases on mild steel in hydrochloric acid
by: 2-s2.0-85060555005
Published: (2019)

Evaluation of 2-indolcarbohydrazones as potent α-glucosidase inhibitors, in silico studies and DFT based stereochemical predictions
by: 2-s2.0-84942794211
Published: (2015)

Determining Mental Capacity and Identifying Surrogates: The Need for Clearer Guidance on Medical Decision-Making in Malaysia
by: 2-s2.0-85204530421
Published: (2025)

Adsorptive capacity of spray-dried pH-treated bentonite and kaolin powders for ammonium removal
by: 2-s2.0-85104315158
Published: (2021)

Structural Characterization, DFT, Hirshfeld Surface Analysis and Antibacterial Activity of a Schiff Base Derived from Cyclohexanediamine
by: 2-s2.0-85100685078
Published: (2021)

Nutritional Values of Artocarpus odoratissimus (Terap) Fruit and its Antioxidant Capacity as Affected by Superheated-steam Treatment
by: Othman, et al.
Published: (2024)

Fraud awareness, information accountability and sustainable competitive advantage: governance moderation and capacity for accessing financing mediation
by: Tarjo T.; Anggono A.; Haryadi B.; Mahya L.; Sakti E.; Said J.
Published: (2025)