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Иш: Elucidating the multifunctional properties of double perovskite hydrides X2MnTlH6 (X = Na, K): A DFT study of half-metallicity, magnetism, hydrogen storage, and optical properties

DFT study of double perovskites Cs2AgBiX6 (X = Cl, Br): An alternative of hybrid perovskites
Nouf H. Alotaibi, Ghulam Mustafa, Nessrin A. Kattan +7
Мақола20223 иқтибос
ABI
Dynamical Theory Of Crystal Lattices
Max Born, Kun Huang
Китоб19963 иқтибос
ABI
Study of double perovskite materials RbX2Y3O10 (X Mg, Ca, Y Ti, Zr) for photocatalytic applications: A DFT insights
Shoukat Hussain, Jalil Ur Rehman, Abid Hussain +2
Мақола20243 иқтибос
ABI
Theoretical investigation of XSnH3 (X: Rb, Cs, and Fr) perovskite hydrides for hydrogen storage application
M. Kashif Masood, Wahidullah Khan, Khawla Chaoui +5
Мақола20243 иқтибос
ABI
Computational insights of double perovskite X2CaCdH6 (X = Rb and Cs) hydride materials for hydrogen storage applications: A DFT analysis
Waqar Azeem, Shoukat Hussain, Muhammad Khuram Shahzad +7
Мақола20243 иқтибос
ABI
Investigating structural, optoelectronic, and mechanical properties of novel Tungsten-based oxides double-perovskites compounds Sr2XWO6 (X= Mn, Fe): A DFT approach
Mudasser Husain, Nasir Rahman, Ahmed Azzouz‐Rached +11
Мақола20243 иқтибос
ABI
An ab-initio study of the physical properties of Ge-based perovskites (XGeH3: X=Mg, Ca, and Sr) for potential hydrogen storage application
M. Kashif Masood, Ghulam Murtaza, Nadia Ahmad +6
Мақола20243 иқтибос
ABI
Optical properties of quaternary GaMnAsP thin layer grown by molecular beam epitaxy
W. Ouerghui, M. Gassoumi, Lotfi Béji +1
Мақола20212 иқтибос
ABI
First-principles calculations to investigate the physical properties of lead-free double perovskites Cs2AgXCl6 (X=P, Co, As, Cd) for optoelectronic applications
Abeer Mera, Muhammad Awais Rehman, Zia Ur Rehman
Мақола20232 иқтибос
ABI
Efficient mixed-force first-principles molecular dynamics
Eduardo Anglada, Javier Junquera, José M. Soler
Мақола20032 иқтибос
ABI
Intergrain tunneling magnetoresistance in polycrystals of the ordered double perovskite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Sr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">FeReO</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>
K. Kobayashi, Takeshi Kimura, Y. Tomioka +3
Мақола19992 иқтибос
ABI
Structural and doping effects in the half-metallic double perovskite<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi>A</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CrWO</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mo>(</mml:mo><mml:mi>A</mml:mi><mml:mo>=</mml:mo></mml:math>Sr, Ba, and Ca)
J. B. Philipp, Peter Majewski, Lambert Alff +9
Мақола20032 иқтибос
ABI
Electronic and optical properties of lead-free hybrid double perovskites for photovoltaic and optoelectronic applications
M. Roknuzzaman, Chunmei Zhang, Kostya Ostrikov +4
Мақола20192 иқтибос
ABI
Structural, electronic, mechanical and dynamical stability properties of LiAH3 (A = Sc, Ti & V) perovskite-type hydrides: A first principle study
Areeba Siddique, Adnan Khalil, Badriah S. Almutairi +6
Мақола20232 иқтибос
ABI
First-principles investigations for the hydrogen storage properties of XVH3 (X=Na, K, Rb, Cs) perovskite type hydrides
Nanlin Xu, Yan Chen, Shanjun Chen +4
Мақола20232 иқтибос
ABI
Lead-Free Double Perovskites: A Review of the Structural, Optoelectronic, Mechanical, and Thermoelectric Properties Derived from First-Principles Calculations, and Materials Design Applicable for Pedagogical Purposes
David O. Obada, Shittu B. Akinpelu, Simeon A. Abolade +4
Шарҳ мақола20242 иқтибос
ABI
First principles investigation of structural, mechanical, thermodynamic, and electronic properties of Al-based perovskites XAlH3 (X=K, Rb, Cs) for hydrogen storage
Muhammad Umer, G. Murtaza, Nazir Ahmad +5
Мақола20242 иқтибос
ABI
First-principles study of the hydrogen storage properties of hydride perovskites XCuH3 (X = K, Rb) for hydrogen storage applications
Yifei Du, Nanlin Xu, Shanjun Chen +4
Мақола20242 иқтибос
ABI
Hydrogen storage and optoelectronic properties of new Ca2H4 metal hydride using density functional theory calculations
Y. Selmani, A. Jabar, S. Benyoussef +1
Мақола20252 иқтибос
ABI
Structural, Electronic and Optical Properties of Altermagnet Bulk <scp>MnBr<sub>2</sub></scp>
Ghaferah H. Al‐Hazmi, Abid Zaman, Naseem Akhter +7
МақолаHeusler alloys: electronic and magnetic propertiesInternational Journal of Quantum Chemistry20252 иқтибос
ABI
High thermoelectric and opto-electronic properties of Ba3NX3 (X=F, Cl) perovskite: Insights from DFT computation
Amnah Mohammed Alsuhaibani, Amina, Fida Rehman +10
МақолаPerovskite Materials and ApplicationsRadiation Physics and Chemistry20241 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
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Сарлавҳасиз
Бошқа1 иқтибос
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Сарлавҳасиз
Бошқа1 иқтибос
ABI
Сарлавҳасиз
Бошқа1 иқтибос
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