Combining machine learning and metal–organic frameworks research: Novel modeling, performance prediction, and materials discovery DOI
Chunhua Li,

Luqian Bao,

Yixin Ji

et al.

Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 514, P. 215888 - 215888

Published: May 8, 2024

Language: Английский

Role of metal-organic framework in hydrogen gas storage: A critical review DOI

A. R. Yuvaraj,

A. Jayarama,

Deepali Sharma

et al.

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 59, P. 1434 - 1458

Published: Feb. 16, 2024

Language: Английский

Citations

34

Dynamic molecular pockets on one-dimensional channels for splitting ethylene from C2–C4 alkynes DOI Open Access
Heng Zeng, Xiao‐Jing Xie, Ting Wang

et al.

Nature Chemical Engineering, Journal Year: 2024, Volume and Issue: 1(1), P. 108 - 115

Published: Jan. 11, 2024

Language: Английский

Citations

22

Atomically dispersed Mn–Nx catalysts derived from Mn‐hexamine coordination frameworks for oxygen reduction reaction DOI Creative Commons
Guoyu Zhong,

Liuyong Zou,

Xiao Chi

et al.

Carbon Energy, Journal Year: 2024, Volume and Issue: 6(5)

Published: Jan. 10, 2024

Abstract Metal‐organic frameworks recently have been burgeoning and used as precursors to obtain various metal–nitrogen–carbon catalysts for oxygen reduction reaction (ORR). Although rarely studied, Mn–N–C is a promising catalyst ORR due its weak Fenton activity strong graphitization catalysis. Here, we developed facile strategy anchoring the atomically dispersed nitrogen‐coordinated single Mn sites on carbon nanosheets (MnNCS) from an Mn‐hexamine coordination framework. The Mn–N 4 were ultrathin with hierarchically porous structure. optimized MnNCS displayed excellent performance in half‐cells (0.89 V vs. reversible hydrogen electrode (RHE) base 0.76 RHE acid half‐wave potential) Zn–air batteries (233 mW cm −2 peak power density), along significantly enhanced stability. Density functional theory calculations further corroborated that –C 12 site has favorable adsorption of *OH rate‐determining step. These findings demonstrate metal‐hexamine framework can be model system rational design highly active atomic metal energy applications.

Language: Английский

Citations

20

Charge‐Assisted Ionic Hydrogen‐Bonded Organic Frameworks: Designable and Stabilized Multifunctional Materials DOI

Xu‐Yong Chen,

Li‐Hui Cao,

Xiang‐Tian Bai

et al.

Chemistry - A European Journal, Journal Year: 2024, Volume and Issue: 30(17)

Published: Jan. 5, 2024

Abstract Hydrogen‐bonded organic frameworks (HOFs) are a class of crystalline framework materials assembled by hydrogen bonds. HOFs have the advantages high crystallinity, mild reaction conditions, good solution processability, and reproducibility. Coupled with reversibility flexibility bonds, can be into wide diversity structures. Since bonding energy bonds is lower than that ligand covalent prone to collapse after desolventisation stability not high, which limits development application HOFs. In recent years, numerous stable functional been developed π–π stacking, highly interpenetrated networks, charge‐assisted, ligand‐bond‐assisted, molecular weaving, cross‐linking. Charge‐assisted ionic introduce electrostatic attraction improve while enriching structural functionality. this paper, we review development, principles rational design assembly charge‐assisted HOFs, introduces different building block construction modes Highlight applications in gas adsorption separation, proton conduction, biological applications, etc., prospects for diverse structures multifunctional applications.

Language: Английский

Citations

18

Combining machine learning and metal–organic frameworks research: Novel modeling, performance prediction, and materials discovery DOI
Chunhua Li,

Luqian Bao,

Yixin Ji

et al.

Coordination Chemistry Reviews, Journal Year: 2024, Volume and Issue: 514, P. 215888 - 215888

Published: May 8, 2024

Language: Английский

Citations

18