Assessing electronic structure modulation strategies toward the development of low‐cost oxygen evolution reaction catalysts DOI Creative Commons
Zhen Zhang, Shaobo Han, Li Cheng

и другие.

Electron, Год журнала: 2024, Номер 2(4)

Опубликована: Окт. 24, 2024

Abstract Oxygen evolution reactions (OER) are critical to electrochemical synthesis reactions, including hydrogen production and organic hydrogenation. However, the high cost of existing OER catalysts (primarily Ir/Ru its derived oxides) limits their practical application for synthesis. To develop a low‐cost, high‐efficiency alternative, we need deeper understanding both mechanisms that drive relationship between catalyst's electronic structure active sites. Here, summarized recent developments catalysts, especially focusing on modulation strategies subsequent activity enhancement. Most importantly, pointed out study directions further work.

Язык: Английский

Simultaneously Producing H2 and H2O2 by Photocatalytic Water Splitting: Recent Progress and Future DOI Open Access
Shuang Cao, Tong Sun, Yong Peng

и другие.

Small, Год журнала: 2024, Номер 20(45)

Опубликована: Июль 27, 2024

The solar-driven overall water splitting (2H

Язык: Английский

Процитировано

8

Bypassing the scaling relations in oxygen electrocatalysis with geometry-adaptive catalysts DOI Creative Commons
Ritums Cepitis, Vladislav Ivaništšev, Jan Rossmeisl

и другие.

Catalysis Science & Technology, Год журнала: 2024, Номер 14(8), С. 2105 - 2113

Опубликована: Янв. 1, 2024

Geometry-adaptation during oxygen electrocatalysis makes catalysts behave as ideal and elevates them to the apex of activity volcano.

Язык: Английский

Процитировано

7

Potential of nanoporous graphene and functionalized nanoporous graphene derived nanocomposites for environmental membranes – a review DOI Creative Commons
Ayesha Kausar, Ishaq Ahmad, Osamah Aldaghri

и другие.

Nanocomposites, Год журнала: 2024, Номер 10(1), С. 138 - 158

Опубликована: Апрель 3, 2024

Nanoporous graphene own high surface area and unique structural physical properties due to nano-sized pores in nanosheet. has been modified by the introduction of functional groups, doping, or nanoparticle modification applied for nanocomposites. The overview basically highlights design, properties, potential functionalized nanoporous derived nanocomposites advanced membranes (desalination/gas/oil separation), thermal management, electrocatalysts, micro-supercapacitors. According literature, pore size neat is 3–11 Å hydroxyl also had nanopore <10 Å. Functionalized revealed 100% salt rejection, while 89% rejection altered properties. Both gas permeance ∼103–105 GPU towards separation CO2, CH4, N2, etc. Few attempts on micro-supercapacitor like molybdenum disulfide resulted volumetric capacitance 55 F cm−3 retention 82%. Forthcoming research may overcome design/performance challenges leading superior features large-scale utilizations.

Язык: Английский

Процитировано

4

Boosting the Photocatalytic Performance of g-C3N4 through MoS2 Nanotubes with the Cavity Enhancement Effect DOI
Xiaolong Li, Yahui Zhang,

Tianzhu Wei

и другие.

Langmuir, Год журнала: 2024, Номер 40(21), С. 11160 - 11172

Опубликована: Май 15, 2024

The development of catalysts with high photon utilization efficiency is crucial for enhancing the catalytic performance photocatalysts. Graphitic carbon nitride (g-C

Язык: Английский

Процитировано

4

Understanding the Curvature Effect on the Structure and Bonding of MoCy Nanoparticles on Carbon Supports DOI Creative Commons
Wei Cao, Marc Figueras, Francesc Viñes

и другие.

ACS Applied Materials & Interfaces, Год журнала: 2025, Номер unknown

Опубликована: Янв. 17, 2025

The interaction between molybdenum carbide (MoCy) nanoparticles and both flat curved graphene surfaces, serving as models for carbon nanotubes, was investigated by means of density functional theory. A variety MoCy with different sizes stoichiometries have been used to explore adsorption sites modes across curvature degrees. On graphene, off-stoichiometric featuring more low-coordinated Mo atoms exhibits stronger increased electron transfers from the substrate. This preferentially occurs through support C leading formation additional Mo–C bonds. Notably, strength increases on concave surfaces decreases convex showing a strong linear correlation surface curvature. curvature-dependent behavior alters charge state nanoparticles, making them more/less positively charged in concave/convex regions. present results demonstrate that can be effectively tuned manipulating stoichiometry, substrate curvature, local environments, providing valuable guidelines rational design MoCy/C-based catalysts.

Язык: Английский

Процитировано

0

Curvature-Influenced Electrocatalytic NRR Reactivity by Heme-like FeN4-Site on Carbon Materials DOI Creative Commons
Yajie Meng,

Ziyue Huang,

Xi Chen

и другие.

Molecules, Год журнала: 2025, Номер 30(8), С. 1670 - 1670

Опубликована: Апрель 8, 2025

Two-dimensional carbon materials and their derivatives are widely applied as promising electrocatalysts supports of single-atom sites. Theoretical investigations 2D usually based on planar models, yet ignore local curvature brought by possible surface distortion, which can be significant to the exact catalytic performance has been realized in latest research. In this work, curvature-influenced electrocatalytic nitrogen reduction reaction (NRR) reactivity heme-like FeN4 site was predicted a first-principle study, with FeN4-CNT(m,m) (m = 5~10) models adopted models. The results showed that larger is favored for NRR, lower limiting potential higher N2 adsorption affinity, while smaller shows NH3 desorption energy beneficial catalyst recovery. Using electronic structures logarithm fitting, we also found FeN4-CNT(5,5) an intermediate-spin state, different from high-spin state exhibited other 6~10) curvature.

Язык: Английский

Процитировано

0

Promoting Electrochemical Reversibility: Concave versus Convex Electrodes DOI Creative Commons
Haotian Chen, Huanxin Li, Bedřich Smetana

и другие.

The Journal of Physical Chemistry Letters, Год журнала: 2025, Номер unknown, С. 4189 - 4195

Опубликована: Апрель 20, 2025

The importance of electrode shape, alongside size, as key factors in controlling the reversibility or otherwise electrochemical responses, is recognized at microscopic level but explored here via finite-element simulation on macroscopic scale. Reduced overpotential seen for concave surfaces relative to flat convex surfaces, providing an unexplored avenue design and fabrication electrodes, including composites diverse applications where enhanced desirable, such sensors battery materials promotion electrocatalytic responses important.

Язык: Английский

Процитировано

0

Effect of the Second-Shell Coordination Environment on the Performance of P-Block Metal Single-Atom Catalysts for the Electrosynthesis of Hydrogen Peroxide DOI Open Access
Yidi Wu, Yu-Xiang Zhang, Sen Lin

и другие.

Catalysts, Год журнала: 2024, Номер 14(7), С. 421 - 421

Опубликована: Июнь 30, 2024

Hydrogen peroxide (H2O2) is an important chemical with a diverse range of industrial applications in synthesis and medical disinfection. The traditional anthraquinone oxidation process, high energy consumption complexity, being replaced by cost-effective environmentally friendly alternatives. In order to explore suitable catalysts for the electrocatalytic H2O2, stability B,N-doped graphene loaded various p-block metal (PM) single atoms (i.e., PM-NxBy: x y represent number N B, respectively) effects different numbers positions B dopants second coordination shell on catalytic performance were studied density functional theory (DFT) calculations. results show that Ga-N4B6 Sb-N4B6 exhibit enhanced 2e− oxygen reduction reaction (ORR) activity selectivity. Their thermodynamic overpotential η values are 0.01 V, 0.03 V Ga-N4B6’s two configurations 0.02 0 Sb-N4B6’s configurations. Electronic structure calculations indicate PM atom adsorbs OOH* intermediates transfers electrons into them, resulting activation O-O bond, which facilitates subsequent hydrogenation reaction. summary, extraordinary ORR performance, their predicted activities comparable those known outstanding (such as PtHg4 alloy). We propose effective strategies how enhance carbon materials, elucidate origin potential catalysts, provide insights design development electrocatalysts can be used H2O2 production.

Язык: Английский

Процитировано

1

Assessing electronic structure modulation strategies toward the development of low‐cost oxygen evolution reaction catalysts DOI Creative Commons
Zhen Zhang, Shaobo Han, Li Cheng

и другие.

Electron, Год журнала: 2024, Номер 2(4)

Опубликована: Окт. 24, 2024

Abstract Oxygen evolution reactions (OER) are critical to electrochemical synthesis reactions, including hydrogen production and organic hydrogenation. However, the high cost of existing OER catalysts (primarily Ir/Ru its derived oxides) limits their practical application for synthesis. To develop a low‐cost, high‐efficiency alternative, we need deeper understanding both mechanisms that drive relationship between catalyst's electronic structure active sites. Here, summarized recent developments catalysts, especially focusing on modulation strategies subsequent activity enhancement. Most importantly, pointed out study directions further work.

Язык: Английский

Процитировано

1