H2 Adsorption on Small Pd-Ni Clusters Deposited on N-Doped Graphene: A Theoretical Study DOI Creative Commons

Brenda García-Hilerio,

Lidia Santiago-Silva,

Adriana Vásquez-García

et al.

C – Journal of Carbon Research, Journal Year: 2024, Volume and Issue: 10(3), P. 73 - 73

Published: Aug. 13, 2024

The study of novel materials for H2 storage is essential to consolidate the hydrogen as a clean energy source. In this sense, adsorption on Pd4-nNin (n = 0–3) clusters embedded pyridinic-type N-doped graphene (PNG) was investigated using density functional theory calculations. First, properties PNG were analyzed in detail. Then, these composites computed. Eint between and greater than that computed literature Pd-based systems pristine graphene. Consequently, it deduced can more significantly stabilize clusters. exhibited HOMO–LUMO gap less 1 eV, indicating good reactivity. Based Eads PNG, observed meet standards set by DOE. Therefore, be viable alternatives storage.

Language: Английский

Hydrogen storage via adsorption: A review of recent advances and challenges DOI
Ahmad Abulfathi Umar, Mohammad M. Hossain

Fuel, Journal Year: 2025, Volume and Issue: 387, P. 134273 - 134273

Published: Jan. 10, 2025

Language: Английский

Citations

1

Emergence of Carbonaceous Material for Hydrogen Storage: An Overview DOI Creative Commons

Khemlata Soni,

N. L. Panwar, Pranay Rajendra Lanjekar

et al.

Clean Energy, Journal Year: 2024, Volume and Issue: 8(4), P. 147 - 168

Published: May 22, 2024

Abstract Hydrogen has gained enormous relevance due to its lower carbon footprint and potential role in balancing energy supply demand. It is being considered as a sustainable substitute for conventional fuels. The generation of hydrogen using renewable sources still development, with significant challenge lying the efficient safe storage low density. This hinders widespread adoption hydrogen. Compression liquefaction methods face issues losses that reduce their effectiveness. technology advanced significantly past few years, driven by recent enhancements synthesizing carbonaceous materials capabilities. article critically reviews novel storage, including biochar, activated carbon, nanotubes, nanocomposites, aerogel, fullerenes, MXenes, graphite, graphene derivatives. Effective adsorption microporous materials, such carbons, crucial, sparking interest economically viable options storage. Despite this, amount work needs be accomplished before advantages economy can fully realized utilized manufacturers academics.

Language: Английский

Citations

6

γ-Graphdiyne decorated with Y and Zr: A DFT study on hydrogen storage and material properties DOI

Heera T. Nair,

Prafulla K. Jha, Brahmananda Chakraborty

et al.

Journal of Energy Storage, Journal Year: 2025, Volume and Issue: 114, P. 115854 - 115854

Published: Feb. 20, 2025

Language: Английский

Citations

0

Lithium-Doped Graphene as a Potential Hydrogen Storage Material and Experimenental Investigations DOI
Junqing Meng,

Ying Lu,

Shuya Zhang

et al.

Published: Jan. 1, 2025

Language: Английский

Citations

0

Progress of 3D Graphene-Based Electrocatalytic Oxygen Evolution Reaction Catalysts DOI
Tong Liu, Junhua You, Yao Zhao

et al.

Langmuir, Journal Year: 2025, Volume and Issue: unknown

Published: March 22, 2025

Electrocatalytic water splitting is a clean and feasible method for hydrogen production, expected to become key technology meeting energy demands. Transition metal-based nanoparticles, including single-atom catalysts their compounds, are widely used in electrocatalytic splitting, but they often suffer from issues like easy agglomeration poor conductivity. The integration of these nanoparticles with three-dimensional (3D) graphene enhances conductivity prevents agglomeration, while improving the adsorption desorption rates reactants intermediates on catalyst surface during thereby boosting efficiency. This paper reviews preparation methods graphene-based supported electrocatalysts applications oxygen evolution reactions (OERs), further discussing mechanism by which 3D improves OER performance.

Language: Английский

Citations

0

Hydrogen adsorption on pristine and modified graphene: DFT insights into defects, doping, and decoration DOI
Bauyrzhan Myrzakhmetov, Toreniyaz Shomenov, Fail Sultanov

et al.

International Journal of Hydrogen Energy, Journal Year: 2025, Volume and Issue: 126, P. 413 - 428

Published: April 11, 2025

Language: Английский

Citations

0

Carbon Material-Reinforced Polymer Composites for Bipolar Plates in Polymer Electrolyte Membrane Fuel Cells DOI Open Access
Alejandro Gómez Sánchez, Víctor Alberto Franco-Luján, Hilda M. Alfaro-López

et al.

Polymers, Journal Year: 2024, Volume and Issue: 16(5), P. 671 - 671

Published: March 1, 2024

Bipolar plates (BPs) are one of the most important components polymer electrolyte membrane fuel cells (PEMFCs) because their role in gas and water management, electrical performance, mechanical stability. Therefore, promising materials for use as BPs should meet several technical targets established by United States Department Energy (DOE). Thus far, literature, many have been reported possible applications BPs. Of these, composites reinforced with carbon allotropes prominent. this review article, we present progress critical analysis on material-reinforced PEMFCs. Based review, it is observed that numerous produced synthesized characterized application DOE requirements. However, these can still be improved before

Language: Английский

Citations

3

Co-Doped Porous Carbon/Carbon Nanotube Heterostructures Derived from ZIF-L@ZIF-67 for Efficient Microwave Absorption DOI Creative Commons
Liming He, Hongda Xu, Yang Cui

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(11), P. 2426 - 2426

Published: May 21, 2024

Carbon-based magnetic metal composites derived from metal-organic frameworks (MOFs) are promising materials for the preparation of broadband microwave absorbers. In this work, leaf-like co-doped porous carbon/carbon nanotube heterostructure was obtained using ZIF-L@ZIF-67 as precursor. The number carbon nanotubes can be controlled by varying amount ZIF-67, thus regulating dielectric constant sample. An optimum reflection loss -42.2 dB is attained when ZIF-67 added at 2 mmol. effective absorption bandwidth (EAB) 4.8 GHz achieved with a thickness 2.2 mm and filler weight 12%. excellent (MA) ability generated mesopore structure, uniform heterogeneous interfaces, high conduction loss. work offers useful guidelines to devise prepare such nanostructured MA materials.

Language: Английский

Citations

3

Bimetallic CoNi subnanoclusters supported on N-doped graphene as novel CO sensors with improved sensitivity DOI
Diana C. Navarro-Ibarra, F. Montejo‐Alvaro, R. Román–Doval

et al.

Solid State Communications, Journal Year: 2025, Volume and Issue: 403, P. 115982 - 115982

Published: April 29, 2025

Language: Английский

Citations

0

Application of Smart Condensed H-Adsorption Nanocomposites in Batteries: Energy Storage Systems and DFT Computations DOI Creative Commons
Fatemeh Mollaamin, Majid Monajjemi

Computation, Journal Year: 2024, Volume and Issue: 12(12), P. 234 - 234

Published: Nov. 27, 2024

A comprehensive investigation of hydrogen grabbing towards the formation hetero-clusters AlGaN–H, Si–AlGaN–H, Ge–AlGaN–H, Pd–AlGaN–H, and Pt–AlGaN–H was carried out using DFT computations at CAM–B3LYP–D3/6-311+G (d,p) level theory. The notable fragile signal intensity close to parallel edge nanocluster sample might be owing silicon or germanium binding-induced non-spherical distribution Si–AlGaN Ge–AlGaN hetero-clusters. Based on TDOS, excessive growth technique doping silicon, germanium, palladium, platinum is a potential approach designing high-efficiency hybrid semipolar gallium nitride devices in long-wavelength zone. Therefore, it can considered that palladium atoms functionalized Pd–AlGaN Pt–AlGaN have more impressive sensitivity for accepting electrons process adsorption. advantages over aluminum include its higher electron hole mobility, allowing operate frequencies than devices. In fact, observed doped ameliorate capability AlGaN transistor cells energy storage.

Language: Английский

Citations

2