Modeling of activated carbon and multi-scale molecular simulation of its water vapor adsorption: A review

Z Mo, M Li, S Sun, R Zhu, D Zhan, A Li, Y Li… - Journal of …, 2024 - Elsevier
The combination of water vapor, which is ubiquitous, and activated carbons (ACs), the most
common adsorbent, is widely used in several fields, including energy storage …

Synthesis, properties and applications of carbon nanomaterials functionalized with anionic groups

K Kharisova, D Lukyanov, P Korusenko… - Nano-Structures & Nano …, 2024 - Elsevier
Anion-modified carbon nanomaterials (CNMs) represent a diverse class of functional
nanomaterials that have attracted considerable interest due to their tunable properties and …

Effective synthesis route of renewable activated biocarbons adsorbent for high CO2, CH4, H2, N2, C2H4 gas storage and CO2/N2, CO2/CH4, CO2/H2, C2H4/CH4 …

J Serafin, B Dziejarski, P Rodríguez-Estupiñán… - Fuel, 2024 - Elsevier
This study explores the feasibility of producing activated carbons (ACs) from abundant fern
leaves to enhance their adsorption capabilities. The process involves activation with H 3 PO …

The role of heteroatoms in iron-assisted graphitization of hard carbons derived from synthetic polymers: The special case of sulfur-doping

S Dyjak, I Wyrębska, A Błachowski, W Kaszuwara… - Carbon, 2024 - Elsevier
Three types of thermosetting heterocyclic phenolic resins (either oxygen-, nitrogen-or sulfur-
doped) impregnated with FeCl 3 were pyrolyzed in the temperature range of 750–1150° C to …

Polygranular image guided atomistic reconstruction: A parametric model of pyrocarbon nanostructure

F Polewczyk, P Lafourcade, JP Da Costa, G Vignoles… - Carbon, 2023 - Elsevier
Atomistic modeling of disordered yet textured carbons is notoriously difficult even though it
can prove extremely helpful in rationalizing structure–property relationships for this class of …

A Data‐Driven Approach to Molten Salt Synthesis of N‐Rich Carbon Adsorbents for Selective CO2 Capture

JN Burrow, JE Eichler, WA Martinez… - Advanced …, 2024 - Wiley Online Library
Applying a design of experiments methodology to the molten salt synthesis of nanoporous
carbons enables inverse design and optimization of nitrogen (N)‐rich carbon adsorbents …

[HTML][HTML] Graphite rapidly forms via annihilation of screw dislocations

JW Martin, JL Fogg, GR Francas, KJ Putman… - Carbon, 2023 - Elsevier
Graphite is the thermodynamically stable form of carbon and yet is remarkably difficult to
synthesize. We show the annihilation of screw dislocations is critical for graphitization …

Hydrogen densification in carbon nanopore confinement: Insights from small-angle neutron scattering using a hierarchical contrast model

S Stock, M Seyffertitz, N Kostoglou, MV Rauscher… - Carbon, 2024 - Elsevier
This study reports on the low-pressure hydrogen (H 2) and deuterium (D 2) physisorption
processes in nanoporous activated carbon cloth at supercritical temperatures. In-situ small …

Bionic Hollow Porous Carbon Nanofibers for Energy‐Dense and Rapid Zinc Ion Storage

G Yang, Q Zhang, C He, Z Gong, Z Liu… - Angewandte …, 2025 - Wiley Online Library
Suboptimal spatial utilization and inefficient access to internal porosity preclude porous
carbon cathodes from delivering high energy density in zinc‐ion hybrid capacitors (ZIHCs) …

Atomistic modeling of lignocellulosic and carbonaceous fuels and their pyrolysis reactions: A review

V Sierra-Jimenez, JP Mathews, F Chejne… - Energy & …, 2023 - ACS Publications
This paper explores the utility of large-scale atomistic models to examine the complex
relationship between biochar behavior, its structural characteristics, and the reactions …