Thermal Expansion and Ionic Conductivity

63 works

First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa
Ehsan Zahedi, Mirabbos Hojamberdiev
ArticleHigh-pressure geophysics and materialsThe European Physical Journal B20170 citations
ABI
High thermoelectric performance of single phase p-type cerium-filled skutterudites by dislocation engineering
Xianfu Meng, Yuan Liu, Bo Cui +6
ArticleAdvanced Thermoelectric Materials and DevicesJournal of Materials Chemistry A20180 citations
ABI
First-principles calculations to investigate structural, electronic, mechanical, optical and thermoelectric properties of Sr-based fluoride perovskites SrXF3 (X = Nb, Ti, Zr)
Jehan Y. Al‐Humaidi, Abd Ullah, Javed Iqbal +8
ArticleHeusler alloys: electronic and magnetic propertiesMaterials Science in Semiconductor Processing20230 citations
ABI
First Principle Investigations of Cesium Based Cubic <scp>CsSiX3</scp> (X = Cl and F) Perovskites for Solar Conversion Applications: A <scp>DFT</scp> Study
Muhammad Khuram Shahzad, Shoukat Hussain, Ghulam Abbas Ashraf +5
ArticlePerovskite Materials and ApplicationsInternational Journal of Quantum Chemistry20240 citations
ABI
Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications
L. Celestine, R. Zosiamliana, Lalrin Kima +6
ArticlePerovskite Materials and ApplicationsJournal of Physics Condensed Matter20240 citations
ABI
Structural, electronic, magnetic, optical and thermoelectric properties of ferromagnetic double perovskites K2ScCoX6 (X = F, Cl): A first-principles study
Vineet Tirth, Amina, Muhammad Kamran +11
ArticleHeusler alloys: electronic and magnetic propertiesCase Studies in Thermal Engineering20240 citations
ABI
Sole‐Solvent High‐Entropy Electrolyte Realizes Wide‐Temperature and High‐Voltage Practical Anode‐Free Sodium Pouch Cells
Yanmei Li, Jiawei Wang, Yingyu Wang +9
ArticleAdvanced Battery Materials and TechnologiesAdvanced Materials20250 citations
ABI
Elucidating the multifunctional properties of double perovskite hydrides X2MnTlH6 (X = Na, K): A DFT study of half-metallicity, magnetism, hydrogen storage, and optical properties
Muawya Elhadi, Kakul Husain, Abid Zaman +8
ArticlePerovskite Materials and ApplicationsInorganic Chemistry Communications20250 citations
ABI
New Oxyhalide Solid Electrolytes with Enhanced Conductivity for All-Solid-State Batteries
Wei Xue, Yanming Cui, Zhixu Long +7
ArticleAdvanced Battery Materials and TechnologiesThe Journal of Physical Chemistry Letters20250 citations
ABI
Comprehensive first-principles investigation of electronic, optical, thermoelectric, and mechanical properties of Cs₂ZAuF₆ (Z = In, Tl) double perovskites for sustainable energy conversion
Sarika Bajpai, Ali B.M. Ali, Preeti Kumari +6
ArticleHeusler alloys: electronic and magnetic propertiesPolyhedron20250 citations
ABI
Local Structure Distortion and Oxygen Substitution in Zr-Based Halide Nanocomposites: Key to Enhanced Ionic Conductivity for All-Solid-State Batteries
Shufeng Song, Shengxian Wang, Yanming Cui +8
ArticleAdvanced Battery Materials and TechnologiesInorganic Chemistry20250 citations
ABI
Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li2GePbH6 hydride perovskite: a DFT investigation
Asghar Hussain, Muhammad Khuram Shahzad, Abhinav Kumar +8
ArticleHydrogen Storage and MaterialsNew Journal of Chemistry20250 citations
ABI
Tailoring the Optoelectronic and Thermoelectric Properties of Lead‐Free Double Perovskites K 2 NaBiZ 6 (Z = Br, I) for Renewable Energy Applications: A First‐Principles Density Functional Theory Investigation
Aparna Dixit, Jisha Annie Abraham, Kaneez Fatima +6
ArticlePerovskite Materials and ApplicationsEnergy Technology20250 citations
ABI
Unveiling the structural stability, optoelectronic and thermoelectric features of NaXI 3 (X=Sr, Be) halide perovskite for optoelectronic and green energy technology
Yüjia Luo, Qiong Peng, Abrar Nazir +9
ArticlePerovskite Materials and ApplicationsInternational Journal of Modern Physics B20250 citations
ABI
A computational investigation of novel perovskite halides LiCrX 3 (X = Cl, Br) for spintronics and energy conversion applications
Mumtaz Manzoor, Aparna Dixit, Ramesh Sharma +5
ArticleHeusler alloys: electronic and magnetic propertiesModern Physics Letters B20250 citations
ABI
Dome-like pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO2
Liam A. V. Nagle‐Cocco, J. Steele, Shiyu Deng +6
ArticleCrystal Structures and PropertiesJournal of Physics Condensed Matter20250 citations
ABI
First-Principles Investigation of Structural, Electronic, Mechanical and Optical Properties of Tl Based Semiconducting Perovskites TlVX3 (X = Br, I) for Reflective Coating Applications
Amina, Kakul Husain, Salhah Hamed Alrefaee +9
ArticlePerovskite Materials and ApplicationsJournal of Inorganic and Organometallic Polymers and Materials20250 citations
ABI
Correction: Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li 2 GePbH 6 hydride perovskite: a DFT investigation
Asghar Hussain, Muhammad Khuram Shahzad, Abhinav Kumar +8
ArticlePerovskite Materials and ApplicationsNew Journal of Chemistry20250 citations
ABI
Tailoring the optical and thermodynamic response of bulk Cs2 GeTmI6 via vacuum Thickness: First principle study
Shabir Ali, Ali B.M. Ali, Xinhua Wang +6
ArticlePerovskite Materials and ApplicationsInternational Journal of Modern Physics C20250 citations
ABI
Cyclically Dynamic Defect Management Enables High‐efficiency Sn─Pb Perovskite Photovoltaics with Enhanced Photostability and Fatigue Resistance
Xueqing Chang, Guo Yang, Huanyu Chen +14
ArticlePerovskite Materials and ApplicationsAngewandte Chemie20250 citations
ABI
Computational quantum hydrogen storage properties of novel double perovskite Na2BeCdH6 hydrides: Structural, elastic, electronics, mechanical, and thermodynamics frontiers of comprehensive DFT study
Muhammad Khuram Shahzad, Shoukat Hussain, Ghulam Abbas Ashraf +6
ArticleHydrogen Storage and MaterialsMaterials Today Communications20250 citations
ABI
A leap toward quasi-solid-state chloride-ion batteries with metal-organic frameworks
Martello, Valentino Gabriel, Piovano, Alessandro, Bonomo, Matteo +3
ArticleInorganic Fluorides and Related CompoundsZenodo (CERN European Organization for Nuclear Research)20250 citations
ABI
A leap toward quasi-solid-state chloride-ion batteries with metal-organic frameworks
Martello, Valentino Gabriel, Piovano, Alessandro, Bonomo, Matteo +3
ArticleInorganic Fluorides and Related CompoundsZenodo (CERN European Organization for Nuclear Research)20250 citations
ABI
SolarSalt: Phase-Change Sodium-Based Battery for 24/7 Renewable Energy Storage
Jainish Roy, Kosimov Khusniddin Badriddinovich, K.S. Bhuvaneshwari +3
ArticleAdvanced Battery Technologies Research20250 citations
ABI
Bulk-Interface Synergy Enables Stable High-Voltage P2-Type Layered Oxide Cathodes for Fast-Charging Sodium-Ion Batteries
Pengyuan Wang, Yangjie Liu, Ziting Chen +9
ArticleAdvancements in Battery MaterialsACS Nano20260 citations
ABI

Thermal Expansion and Ionic Conductivity

First-principles investigation of the equation of state and elastic properties of perovskite-type SrW(O,N)3 under hydrostatic pressures up to 139 GPa

High thermoelectric performance of single phase p-type cerium-filled skutterudites by dislocation engineering

First-principles calculations to investigate structural, electronic, mechanical, optical and thermoelectric properties of Sr-based fluoride perovskites SrXF3 (X = Nb, Ti, Zr)

First Principle Investigations of Cesium Based Cubic <scp>CsSiX<sub>3</sub></scp> (X = Cl and F) Perovskites for Solar Conversion Applications: A <scp>DFT</scp> Study

Hybrid-DFT study of halide perovskites, an energy-efficient material under compressive pressure for piezoelectric applications

Structural, electronic, magnetic, optical and thermoelectric properties of ferromagnetic double perovskites K2ScCoX6 (X = F, Cl): A first-principles study

Sole‐Solvent High‐Entropy Electrolyte Realizes Wide‐Temperature and High‐Voltage Practical Anode‐Free Sodium Pouch Cells

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

New Oxyhalide Solid Electrolytes with Enhanced Conductivity for All-Solid-State Batteries

Comprehensive first-principles investigation of electronic, optical, thermoelectric, and mechanical properties of Cs₂ZAuF₆ (Z = In, Tl) double perovskites for sustainable energy conversion

Local Structure Distortion and Oxygen Substitution in Zr-Based Halide Nanocomposites: Key to Enhanced Ionic Conductivity for All-Solid-State Batteries

Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li<sub>2</sub>GePbH<sub>6</sub> hydride perovskite: a DFT investigation

Tailoring the Optoelectronic and Thermoelectric Properties of Lead‐Free Double Perovskites K <sub>2</sub> NaBiZ <sub>6</sub> (Z = Br, I) for Renewable Energy Applications: A First‐Principles Density Functional Theory Investigation

Unveiling the structural stability, optoelectronic and thermoelectric features of NaXI <sub>3</sub> (X=Sr, Be) halide perovskite for optoelectronic and green energy technology

A computational investigation of novel perovskite halides LiCrX <sub>3</sub> (X = Cl, Br) for spintronics and energy conversion applications

Dome-like pressure-temperature phase diagram of the cooperative Jahn–Teller distortion in NaNiO<sub>2</sub>

First-Principles Investigation of Structural, Electronic, Mechanical and Optical Properties of Tl Based Semiconducting Perovskites TlVX3 (X = Br, I) for Reflective Coating Applications

Correction: Enhancing the gravimetric hydrogen storage capacity and optoelectronic performance of a novel Li <sub>2</sub> GePbH <sub>6</sub> hydride perovskite: a DFT investigation

Tailoring the optical and thermodynamic response of bulk Cs2 GeTmI6 via vacuum Thickness: First principle study

Cyclically Dynamic Defect Management Enables High‐efficiency Sn─Pb Perovskite Photovoltaics with Enhanced Photostability and Fatigue Resistance

Computational quantum hydrogen storage properties of novel double perovskite Na2BeCdH6 hydrides: Structural, elastic, electronics, mechanical, and thermodynamics frontiers of comprehensive DFT study

A leap toward quasi-solid-state chloride-ion batteries with metal-organic frameworks

A leap toward quasi-solid-state chloride-ion batteries with metal-organic frameworks

SolarSalt: Phase-Change Sodium-Based Battery for 24/7 Renewable Energy Storage

Bulk-Interface Synergy Enables Stable High-Voltage P2-Type Layered Oxide Cathodes for Fast-Charging Sodium-Ion Batteries