Theoretical Study of Catalytic Performance of Pristine M2C and Oxygen-Functionalized M2CO2 MXenes as Cathodes for Li–N2 Batteries DOI
Lianming Zhao, Meixin Lin, Zhenyu Huang

и другие.

ACS Applied Materials & Interfaces, Год журнала: 2024, Номер 16(26), С. 33710 - 33722

Опубликована: Июнь 21, 2024

Li–N2 batteries are a promising platform for electrochemical energy storage, but their performance is limited by the low activity of cathode catalysts. In this work, density functional theory was used to study catalytic pristine M2C and oxygen-functionalized M2CO2 MXenes (M = Sc, Ti, V) as cathodes batteries. The calculated results suggest that show high electrical conductivity due Fermi level crossing metal 3d states. stable adsorption N2 occurs on via side-on model strengthens gradually with decreasing atomic number. Furthermore, kinetics dissociation can be significantly accelerated coadsorption Li MXenes. However, surfaces too difficult occur strong electrostatic repulsion. Li-mediated nitrogen reduction reaction during discharge proceeds favorably (N + N)* → (LiN LiN)* (Li2N Li2N)* (Li3N Li3N)* form two isolated Li3N* charge–discharge overpotentials decrease in order Sc2C < Ti2C V2C. Notably, MXene has great potential catalyst because its conductivity, adsorption, favorable dissociation, ultralow discharging, charging, total (0.07, 0.06, 0.13 V). This offers theoretical foundation future research

Язык: Английский

Toward sustainable energy: Metal oxide semiconductor/MXene-based nanocomposite for the production of solar fuels DOI
Irfan Hanif, Igor Iatsunskyi

International Journal of Hydrogen Energy, Год журнала: 2025, Номер 109, С. 174 - 198

Опубликована: Фев. 11, 2025

Язык: Английский

Процитировано

1

2D/2D Hybrids: Re-visiting Interfacial Synthesis and Charge-Carrier Dynamics for Photocatalysis DOI Creative Commons

Nurul Afiqah Mokri,

Pei Ching Oh, Mohammad Khalid

и другие.

Results in Engineering, Год журнала: 2025, Номер unknown, С. 105045 - 105045

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

0

Photocatalysis Fundamental with Essential Parameters for a Water Splitting Process DOI

Kindnew Demssie Dejen,

Bui Hai Khue,

Arief Nugroho

и другие.

Green energy and technology, Год журнала: 2025, Номер unknown, С. 1 - 62

Опубликована: Янв. 1, 2025

Язык: Английский

Процитировано

0

Unified Catalytic Performance of Assimilated Bimetallic Sulfide onto Niobium Carbide MXene for Overall Water Splitting DOI
Vartika Sharma,

Shubham Mishra,

Vaibhav Kulshrestha

и другие.

Advanced Sustainable Systems, Год журнала: 2025, Номер unknown

Опубликована: Апрель 3, 2025

Abstract The move from carbon fuels to renewable energy is accelerating the demand for efficient, affordable electrocatalysts. MXenes are rapidly budding as promising candidates advanced carrier and storage systems. Ti‐based have been widely studied; however, their conductivity relatively low compared niobium‐based MXenes. In this work, etching process optimized successfully remove Al Nb MAX phase, thereby developing a well‐exfoliated Nb‐MXene (NbX). Furthermore, enhance overall electrochemical performance, novel catalyst introduced by depositing nickel‐cobalt sulfide (NCS) onto NbX (NCS@NbX) improve its activity both oxygen evolution reaction (OER) hydrogen (HER). resulting achieves impressive overpotentials of 115 130 mV in 0.5 m H 2 SO 4 1 KOH HER OER, respectively, nearly three times lower than values observed pristine NbX. Electrochemical testing further reveals Tafel slopes 93 98 dec⁻¹ respectively. also exhibits remarkable stability analyzed with help chronoamperometry testing, maintaining performance over 40 h acidic 20 basic conditions, highlighting robustness.

Язык: Английский

Процитировано

0

Progress of MXene-Based Materials in the Field of Rechargeable Batteries DOI Open Access

Jian‐Fei Gao,

Jing Li, Qian Wang

и другие.

Materials, Год журнала: 2025, Номер 18(10), С. 2386 - 2386

Опубликована: Май 20, 2025

With the rapid development of electrical energy storage technologies, traditional battery systems are limited in practical applications by insufficient density and short cycle life. This review provides a comprehensive critical summary MXene or MXene-based composites as electrode materials for high-performance devices. By integrating synthesis techniques MXenes that have been studied, this paper systematically illustrates physicochemical properties, strategies, mechanisms MXenes, analyzes bottlenecks their large-scale preparation. Meanwhile, it collates latest research achievements field metal–ion batteries recent years, focusing on progress lithium–ion, sodium–ion, lithium–sulfur, multivalent ion (Zn2+, Mg2+, Al3+) batteries, reveals action different material cases. Combining DFT analysis effects surface functional groups adsorption with experimental studies clarifies structure–activity relationships composites. However, using hybrid compounds remains its infancy. Future directions should focus understanding regulating chemistry, investigating specific electrodes, exploring developing related to bimetallic MXenes.

Язык: Английский

Процитировано

0

Exploring the structural and electronic properties of N-doped Ti2C MXenes for novel applications in advanced materials and devices: A DFT study DOI
Bilal Ahmed, Muhammad Bilal Tahir,

Akmal Ali

и другие.

Materials Science in Semiconductor Processing, Год журнала: 2024, Номер 186, С. 109091 - 109091

Опубликована: Ноя. 7, 2024

Язык: Английский

Процитировано

1

Theoretical Study of Catalytic Performance of Pristine M2C and Oxygen-Functionalized M2CO2 MXenes as Cathodes for Li–N2 Batteries DOI
Lianming Zhao, Meixin Lin, Zhenyu Huang

и другие.

ACS Applied Materials & Interfaces, Год журнала: 2024, Номер 16(26), С. 33710 - 33722

Опубликована: Июнь 21, 2024

Li–N2 batteries are a promising platform for electrochemical energy storage, but their performance is limited by the low activity of cathode catalysts. In this work, density functional theory was used to study catalytic pristine M2C and oxygen-functionalized M2CO2 MXenes (M = Sc, Ti, V) as cathodes batteries. The calculated results suggest that show high electrical conductivity due Fermi level crossing metal 3d states. stable adsorption N2 occurs on via side-on model strengthens gradually with decreasing atomic number. Furthermore, kinetics dissociation can be significantly accelerated coadsorption Li MXenes. However, surfaces too difficult occur strong electrostatic repulsion. Li-mediated nitrogen reduction reaction during discharge proceeds favorably (N + N)* → (LiN LiN)* (Li2N Li2N)* (Li3N Li3N)* form two isolated Li3N* charge–discharge overpotentials decrease in order Sc2C < Ti2C V2C. Notably, MXene has great potential catalyst because its conductivity, adsorption, favorable dissociation, ultralow discharging, charging, total (0.07, 0.06, 0.13 V). This offers theoretical foundation future research

Язык: Английский

Процитировано

0