Improving the Interpretability of ANN-Based Predictions of Lattice Constants in Aliovalently Doped Perovskites Using Partial Dependence Plots DOI Creative Commons
Abdullah Alharthi, Abdulgafor Alfares, Yusuf A. Sha’aban

и другие.

Crystals, Год журнала: 2025, Номер 15(6), С. 538 - 538

Опубликована: Июнь 5, 2025

The relationship between structure and properties is fundamental in materials science, particularly for aliovalently doped perovskites, where structural changes significantly influence material performance. Accurate prediction of key parameters essential tailoring these advanced applications. In this study, we developed an Artificial Neural Network (ANN) model to predict lattice constants with high accuracy, achieving near-perfect R2 values minimal errors across training testing datasets. To address the interpretability challenge commonly associated black-box models, integrated Partial Dependence Plots (PDPs), enabling a transparent analysis how input features, including a, b, c, number formula units per unit cell (Z), affect predictions. Our findings show that c generally contribute expansion, while Z exhibits inverse due its impact on packing density. inclusion PDPs offers novel insights into underlying physical relationships enhances trustworthiness machine learning (ML) predictions context perovskite design. This approach demonstrates utility combining high-accuracy ML models techniques accelerate discovery science.

Язык: Английский

Computational Screening of Ti-Based YTi3H8 (Y= Na, K and Rb) Hydrides for Efficient Solid-State Hydrogen Storage System DOI
Bilal Ahmed, Muhammad Bilal Tahir, Muhammad Sagir

и другие.

Physics Letters A, Год журнала: 2025, Номер unknown, С. 130345 - 130345

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

2

Unlocking the Narrow Bandgap Investigations of Perovskite JHgF3 (J = Li, Na, and Rb) Materials: Computational Predictions for Optoelectronic Devices DOI
Muhammad Khuram Shahzad, Shoukat Hussain, Abhinav Kumar

и другие.

Journal of Physics and Chemistry of Solids, Год журнала: 2025, Номер unknown, С. 112729 - 112729

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

1

Multidentate chelation via pyridine-based molecules for high-efficiency perovskite solar cells DOI
Yongxiang Zhang, Jinfeng Zhang, Aiqin Sun

и другие.

Inorganic Chemistry Frontiers, Год журнала: 2025, Номер unknown

Опубликована: Янв. 1, 2025

Multidentate chelating passivation via DIP molecules significantly reduces the surface trap density, improves carrier transport, and achieves an efficiency of 23.68%.

Язык: Английский

Процитировано

1

A comprehensive review of bismuth-based photocatalysts and antibiotic pollution degradation: Recent trends and challenges DOI

Safia Obaidur Rab,

Farag M. A. Altalbawy, Lalji Baldaniya

и другие.

Inorganic Chemistry Communications, Год журнала: 2025, Номер unknown, С. 114067 - 114067

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

1

Tailoring the electronic and optical properties of CsAuCl₃ via rare-earth doping: A GGA + U + SOC DFT study for phosphor-converted LEDs and advanced optoelectronic applications DOI
Salman Ahmad, Muhammad Jawad, Amin Ur Rahman

и другие.

Chemical Physics, Год журнала: 2025, Номер unknown, С. 112696 - 112696

Опубликована: Март 1, 2025

Язык: Английский

Процитировано

1

Charge distribution manipulation in fluorine-containing additives enables highly efficient and stable perovskite solar cells DOI
Aiqing Sun, Zhiqian Yang, Mengting Han

и другие.

Chemical Engineering Journal, Год журнала: 2025, Номер unknown, С. 160571 - 160571

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

0

Thermo-economic evaluation and multi-objective optimization of an integrated solar-aided system for hydrogen, power, and biodiesel production with algal-based carbon capture DOI

Aida Sadri Irani,

Abolfazl Fattahi

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 116, С. 358 - 377

Опубликована: Март 13, 2025

Язык: Английский

Процитировано

0

Versatile, Adaptable, and Stretchable Electrochromic Energy Storage Systems DOI
Aliakbar Jafari, Ahmed Al‐Ostaz, Sasan Nouranian

и другие.

Polymers for Advanced Technologies, Год журнала: 2025, Номер 36(3)

Опубликована: Март 1, 2025

ABSTRACT Electrochromic energy storage devices (EESDs) have emerged as innovative technologies in and smart materials, generating considerable interest for numerous applications, such wearables, windows, color‐changing sunglasses. EESDs consist of two primary categories: electrochromic supercapacitors (ESCs) batteries (ECBs). These are particularly appreciated their multifunctional features, which allow them to alter color response different charge densities. The performance efficiency rely on three essential components: (I) the current collector or substrate (cc/substrate), serves conductive base device; (II) electrolyte, supports ion movement improves overall electrochemical performance; (III) materials (ECMs), responsible changes functions. Careful selection optimization these components crucial enhancing devices' efficiency, stability, lifespan. Advanced flexible stretchable shown significant potential. Their natural flexibility facilitates seamless incorporation into curved surfaces diverse shapes, making especially suitable wearable other cutting‐edge applications. However, this also brings challenges, including concerns related delamination, material dissociation, degradation over time. A thorough investigation is progressing conversion systems. Grasping vital creating sustainable solutions improving capabilities.

Язык: Английский

Процитировано

0

Investigation of Double Halide Perovskites Materials Rb2AgMCl6 (M = As, Co, Rh) for Their Electronic, Optoelectronic, and Thermoelectric Properties DOI
Nisha Choudhary, Kishor Kumar, Jagrati Sahariya

и другие.

Journal of Inorganic and Organometallic Polymers and Materials, Год журнала: 2025, Номер unknown

Опубликована: Март 29, 2025

Язык: Английский

Процитировано

0

Tunable Electrical Properties of Cobalt-Doped Maghemite Nanoparticles for Advanced Resistive and Thermistor Applications DOI Creative Commons
M. Hjiri,

Sonia Soltani,

A. Jbeli

и другие.

Nanomaterials, Год журнала: 2025, Номер 15(7), С. 534 - 534

Опубликована: Апрель 1, 2025

Maghemite (γ-Fe2O3) nanoparticles have attracted considerable interest for electronic applications due to their tunable electrical properties. Doping strategies offer an effective way optimize resistive behavior use in devices. In this study, cobalt (Co) was incorporated into γ-Fe2O3 enhance its X-ray diffraction (XRD) confirmed the retention of cubic P4332 phase, with Co doping inducing subtle lattice distortions ionic substitution. Scanning and transmission electron microscopy (SEM/TEM) revealed morphological changes, where incorporation influenced particle shape size distribution. Electrical conductivity analysis demonstrated a decrease both AC DC increase content, indicating enhanced behavior. The activation energy suggests reduction charge carrier mobility, leading higher resistivity. Impedance spectroscopy further increased real imaginary impedance values, reinforcing role suppressing transport. These results position cobalt-doped maghemite as promising material devices, such resistors negative temperature coefficient (NTC) thermistors, controlled stable are essential.

Язык: Английский

Процитировано

0