Prediction methods for Phonon Transport Properties of Inorganic Crystals: from Traditional Approaches to Artificial Intelligence DOI
Yi Wei, Zhixiang Liu, Guangzhao Qin

et al.

Nanoscale Horizons, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

This review comprehensively summarizes all available strategies for predicting phonon transport properties and explores how AI-based approaches can enhance traditional methods.

Language: Английский

Carbonyl Chemistry for Advanced Electrochemical Energy Storage Systems DOI
Kang‐Yu Zou, Wentao Deng, Debbie S. Silvester

et al.

ACS Nano, Journal Year: 2024, Volume and Issue: 18(31), P. 19950 - 20000

Published: July 29, 2024

On the basis of sustainable concept, organic compounds and carbon materials both mainly composed light C element have been regarded as powerful candidates for advanced electrochemical energy storage (EES) systems, due to theie merits low cost, eco-friendliness, renewability, structural versatility. It is investigated that carbonyl functionality most common constituent part serves a crucial role, which manifests respective different mechanisms in various aspects EES systems. Notably, systematical review about concept progress chemistry beneficial ensuring in-depth comprehending functionality. Hence, comprehensive has summarized based on state-of-the-art developments. Moreover, working principles fundamental properties unit discussed, generalized three aspects, including redox activity, interaction effect, compensation characteristic. Meanwhile, pivotal characterization technologies also illustrated purposefully studying related structure, mechanism, performance profitably understand chemistry. Finally, current challenges promising directions are concluded, aiming afford significant guidance optimal utilization moiety propel practicality

Language: Английский

Citations

27

Computational understanding and multiscale simulation of secondary batteries DOI
Yan Yuan, Bin Wang, Jinhao Zhang

et al.

Energy storage materials, Journal Year: 2025, Volume and Issue: unknown, P. 104009 - 104009

Published: Jan. 1, 2025

Language: Английский

Citations

2

The Rise of Multivalent Metal–Sulfur Batteries: Advances, Challenges, and Opportunities DOI Creative Commons
Jing Zhao, Yao‐Yu Xiao,

Qing Liu

et al.

Advanced Functional Materials, Journal Year: 2024, Volume and Issue: 34(40)

Published: July 19, 2024

Abstract As the “star of hope” for next‐generation high‐energy‐density batteries, lithium–sulfur batteries (Li–S batteries) face severe challenges such as reserves, costs, and safety, which seriously restrict their practical application. Alternatively, research on multivalent metals (e.g., Mg, Ca, Al, Zn, etc.) anodes, characterized by less reactivity higher natural abundance, is gaining increasing attention urgent demand. However, metal–sulfur (M–S) battery technology based metal anodes still in its infancy not yet mature This review provides insights into prospects M–S covering fundamental mechanisms, key issues, response strategies, latest advancements flexible/micro energy storage devices. Furthermore, a general perspective future directions are also presented this review. aims to explore opportunities emerging support development systems.

Language: Английский

Citations

10

Machine learning for full lifecycle management of lithium-ion batteries DOI

Qiangxiang Zhai,

Hongmin Jiang,

Nengbing Long

et al.

Renewable and Sustainable Energy Reviews, Journal Year: 2024, Volume and Issue: 202, P. 114647 - 114647

Published: June 13, 2024

Language: Английский

Citations

7

Machine learning guided efficiency improvement for Sn-based perovskite solar cells with efficiency exceeding 20% DOI
Weiyin Gao, Chenxin Ran, Liang Zhao

et al.

Rare Metals, Journal Year: 2024, Volume and Issue: 43(11), P. 5720 - 5733

Published: June 18, 2024

Language: Английский

Citations

6

Periodic Single‐Metal Site Catalysts: Creating Homogeneous and Ordered Atomic‐Precision Structures DOI
Tianyu Zhang, Dingsheng Wang, Junfeng Liu

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: 36(41)

Published: Aug. 16, 2024

Abstract Heterogeneous single‐metal‐site catalysts (SMSCs), often referred to as single‐atom (SACs), demonstrate promising catalytic activity, selectivity, and stability across a wide spectrum of reactions due their rationally designed microenvironments encompassing coordination geometry, binding ligands, electronic configurations. However, the inherent disorderliness SMSCs at both atomic scale nanoscale poses challenges in deciphering working principles establishing correlations between performances SMSCs. The rearrangement randomly dispersed single metals into homogeneous atomic‐precisely structured periodic single‐metal site (PSMSCs) not only simplifies chaos systems but also unveils new opportunities for manipulating performance gaining profound insights reaction mechanisms. Moreover, synergistic effects adjacent integration arrangement further broaden industrial application scope This perspective offers comprehensive overview recent advancements outlines prospective avenues research design characterizations PSMSCs, while acknowledging formidable encountered prospects that lie ahead.

Language: Английский

Citations

6

Unveiling potential of thiophene-functionalized C3N3 nanosheet as an anode for Li-ion batteries: A DFT-D3 study DOI

Sadegh Kaviani,

D. A. Tayurskiı̆, Oleg V. Nedopekin

et al.

Inorganic Chemistry Communications, Journal Year: 2024, Volume and Issue: 165, P. 112491 - 112491

Published: May 5, 2024

Language: Английский

Citations

5

Alleviating range anxiety: Solid-state batteries and extreme fast charging DOI
Yajie Song, Xue Sun, Shuaifeng Lou

et al.

Progress in Materials Science, Journal Year: 2024, Volume and Issue: 147, P. 101339 - 101339

Published: July 19, 2024

Language: Английский

Citations

4

Applications of theoretical calculations in alkali metal-ion battery investigation DOI

Hanmei Zhang,

Xiaoxu Liu, Tianyi Ji

et al.

Chinese Chemical Letters, Journal Year: 2024, Volume and Issue: unknown, P. 110790 - 110790

Published: Dec. 1, 2024

Language: Английский

Citations

4

Molecular Design of Bipolar Redox-Active Molecules with Extended p–n Fusion for Symmetric Redox Flow Batteries DOI
Yue Liu, Qin Li, Tingting Wu

et al.

Energy & Fuels, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 9, 2025

Most nonaqueous redox flow batteries (RFBs) encounter the issue of irreversible capacity loss due to crossover redox-active materials. To mitigate this, an innovative approach is construct symmetric RFBs with bipolar molecules (BRMs). Merging established p- and n-type moieties within a single molecule through fused conjugation has proven be practical effective strategy for preparation BRMs. Nonetheless, this presents significant challenges, primarily involving destabilization intermediates caused by direct excessive electronic perturbation as well inherently deleterious interactions between two types centers. This study proposes robust design BRMs that incorporate additional same conjugated structure enhance stability. As demonstrator, we designed synthesized novel class BRMs, merging sets pyrrolic nitrogen ketone moieties. The potential efficacy these were evaluated in static cells proof concept. A cell based on one achieves voltage 2.6 V demonstrates satisfactory Coulombic energy efficiencies retention over long-term charge–discharge cycles. Our provides structures developing high-performance

Language: Английский

Citations

0