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 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)

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)

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)

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)

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)

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)

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)

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)

Carbon Storage of Mangrove Forests in Sarawak, Malaysia
by: Gandaseca S.; Ariyanto C.I.; Rahmawaty; Pazi A.M.M.
Published: (2023)

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)

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

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)

Effect of spacing, concentration of NaCl solution, and biasing of graphite electrodes towards conductometric sensor response
by: Zulkarnain I.W.; Abdullah W.F.H.; Halim I.S.A.; Muslan M.I.A.
Published: (2024)

Fabrication of functionally graded open-cell Aluminium foam using Graded NaCl in infiltration casting
by: Azizan M.A.; Salleh N.A.M.; Ismail M.H.; Natarajan V.D.
Published: (2018)

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

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)

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)

Production of pure water and dry salt from NaCl solutions via percrystallisation by supported carbon membranes
by: Jalil S.N.A.; Vaughan J.; Motuzas J.
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)

Synthesis, Spectroscopic Characterization, DFT, Molecular Docking, Catechol Oxidase Activity, and Anti-SARS-CoV-2 of Acylhydrazone Derivatives
by: Anouar E.H.; Filali I.; Shah S.A.A.; Karrouchi K.
Published: (2025)

Surface water sodium (Na+) concentration prediction using hybrid weighted exponential regression model with gradient-based optimization
by: Ahmadianfar I.; Shirvani-Hosseini S.; Samadi-Koucheksaraee A.; Yaseen Z.M.
Published: (2022)

The impact of gamma irradiation on the quality of meat and poultry: A review on its immediate and storage effects
by: Hashim M.S.; Yusop S.M.; Rahman I.A.
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)

Investigating CO2 storage properties of Pd(II) and Co(II) chelates of a Schiff's base ligand
by: Ahmed A.J.; Alias M.; Ahmed D.S.; Abdallh M.; Bufaroosha M.; Jawad A.H.; Yousif E.
Published: (2023)

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

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)

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)

Analysis of battery energy storage system (BESS) performance in reducing the impact of variable renewable energy generation intermittency on the electricity system
by: Mudakir; Aripriharta; Wibawa A.P.
Published: (2024)

Storage root nutrient and yield enhancement in sweet potato variety VitAto using empty fruit bunch compost and hexaconazole
by: Yahya B.B.A.H.; Abdullah M.Y.; Tajarudin N.K.
Published: (2016)

Graphene for hydrogen energy storage - A comparative study on GO and rGO employed in a modified reversible PEM fuel cell
by: Jindal H.; Oberoi A.S.; Sandhu I.S.; Chitkara M.; Singh B.
Published: (2021)

Polyethylene Oxide Incorporated Ammonium Iodide Doped With Ionic Liquid Trihexyl (Tetradecy) Phosphonium Dicyanamide-Based Polymer Electrolyte for Dual Energy Storage Devices
by: Rawat S.; Singh P.K.; Yahya M.Z.A.; Yusuf S.N.F.; Diantoro M.; Latif F.A.; Singh R.C.
Published: (2025)

Microsatellite (mEgCIR3808) Analysis in Oil Palm: An Optimisation of a Direct PCR-based using FTA Card as a Storage Medium
by: Asri N.A.S.M.; Zulkifli A.A.; Bin Midin M.R.; Hanafi W.N.W.
Published: (2024)

Impact of Pilates Exercise on Quality of Life, Functional Capacity, Cancer-related Fatigue, Depression and Salivary Cortisol of Colorectal Cancer Survivors:A Quasi-Experimental Study
by: Razak N.A.; Azhar Z.I.; Ismail Z.; Azman Z.A.M.; Manap S.A.A.; Ramli N.; Mun C.C.
Published: (2024)

UNDERSTANDING THE EFFECTS OF GLYCEROL ON THE ELECTRICALAND STRUCTURAL PROPERTIES OF PLASTICIZED AGAROSE/NANO3 BIOPOLYMER ELECTROLYTES; [Memahami Kesan Gliserol Terhadap Sifat Elektrik dan Struktural Elektrolit Biopolimer Agarose/NaNO3 yang Diperplastikan]
by: Syiarizzad R.N.Q.A.R.; Balian S.R.C.; Hussain N.F.S.; Shaharuddin N.A.A.; Abidin S.Z.Z.
Published: (2024)

Characteristics of pulmonary rehabilitation programs and their effects on exercise capacity and health related quality of life (HRQoL) in patients with interstitial lung disease: A systematic review and meta-analysis
by: Salazar J.J.; Mirza F.T.; Uzzaman M.N.; Shunmugam R.H.; Shazana N.Z.; Pinnock H.; Hirani N.; Rabinovich R.A.
Published: (2025)

Characteristics of pulmonary rehabilitation programs and their effects on exercise capacity and health related quality of life (HRQoL) in patients with interstitial lung disease: A systematic review and meta-analysis
by: Salazar, et al.
Published: (2025)

The Architecture of BaTiO3 Nanoparticles Synthesis via Temperature-Responsive for Improved Oil Recovery: A Molecular Dynamics Simulation and Core-Flooding Experimental Study
by: Sikiru S.; Soleimani H.; Rostami A.; Khodapanah L.
Published: (2025)

Capacity for the management of kidney failure in the International Society of Nephrology Oceania and South East Asia (OSEA) region: report from the 2023 ISN Global Kidney Health Atlas (ISN-GKHA)
by: Francis A.; Wainstein M.; Irish G.; Abdul Hafidz M.I.; Chen T.; Cho Y.; Htay H.; Kanjanabuch T.; Lalji R.; Neuen B.L.; See E.; Shah A.; Smyth B.; Tungsanga S.; Viecelli A.; Yeung E.K.; Arruebo S.; Bello A.K.; Caskey F.J.; Damster S.; Donner J.-A.; Jha V.; Johnson D.W.; Levin A.; Malik C.; Nangaku M.; Okpechi I.G.; Tonelli M.; Ye F.; Wong M.G.; Bavanandan S.; Abdul Gafor A.H.; Amouzegar A.; Bennett P.; Chicano S.L.; Davids M.R.; Davison S.N.; Diongole H.M.; Divyaveer S.; Ekrikpo U.E.; Ethier I.; Fong V.K.; Fung W.W.-S.; Ghimire A.; Gopal B.; Phan H.A.H.; Harris D.C.H.; Houston G.; Ibrahim K.S.; Jardine M.J.; Jindal K.; Kantachuvesiri S.; Kelly D.M.; Kerr P.; Kim S.; Krishnasamy R.; Kwek J.L.; Lee V.; Liew A.; Lim C.Y.; Lydia A.; Nalado A.M.; Olanrewaju T.O.; Osman M.A.; Petrova A.; Pyar K.P.; Riaz P.; Saad S.; Sakajiki A.M.; Sengthavisouk N.; Sozio S.M.; Srisawat N.; Tan E.; Tiv S.; Tomacruz Amante I.D.; Villanueva A.R.; Walker R.; Walker R.; Zaidi D.
Published: (2024)

The Architecture of BaTiO3 Nanoparticles Synthesis via Temperature-Responsive for Improved Oil Recovery: A Molecular Dynamics Simulation and Core-Flooding Experimental Study
by: Sikiru, et al.
Published: (2025)