Pyridine functionalized carbon nanotubes: unveiling the role of external pyridinic nitrogen sites for oxygen reduction reaction
Pyridinic nitrogen has been recognized as the primary active site in nitrogen‐doped carbon
electrocatalysts for the oxygen reduction reaction (ORR), which is a critical process in many …
electrocatalysts for the oxygen reduction reaction (ORR), which is a critical process in many …
Accelerated Deep Learning Dynamics for Atomic Layer Deposition of Al(Me)3 and Water on OH/Si(111)
Knowledge of the detailed mechanism behind the atomic layer deposition (ALD) can greatly
facilitate the optimization of the manufacturing process. Computational modeling can …
facilitate the optimization of the manufacturing process. Computational modeling can …
Constrained Al sites in FER-type zeolites
W Chu, X Liu, Z Yang, H Nakata, X Tan, X Liu… - Chinese Journal of …, 2021 - Elsevier
Crystallographic sites of Brönsted acids (Si-OH-Al) in zeolites, which are closely associated
with the Al sites, play a significant and unique role in the catalytic application, especially …
with the Al sites, play a significant and unique role in the catalytic application, especially …
Microwave-induced covalent functionalization of few-layer graphene with arynes under solvent-free conditions
Microwave-induced covalent functionalization of few-layer graphene with arynes under
solvent-free conditions - Chemical Communications (RSC Publishing) DOI:10.1039/C7CC08676H …
solvent-free conditions - Chemical Communications (RSC Publishing) DOI:10.1039/C7CC08676H …
(4 + 2) and (2 + 2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature
Addition of benzyne to carbon nanostructures can proceed via (4+ 2)(1, 4-addition) or (2+
2)(1, 2-addition) cycloadditions depending on the species under consideration. In this work …
2)(1, 2-addition) cycloadditions depending on the species under consideration. In this work …
Adsorption and diffusion of lithium in a graphene/blue-phosphorus heterostructure and the effect of an external electric field
K Fan, J Tang, S Wu, C Yang, J Hao - Physical Chemistry Chemical …, 2017 - pubs.rsc.org
The adsorption and diffusion behaviors of lithium (Li) in a graphene/blue-phosphorus (G/BP)
heterostructure have been investigated using a first principles method based on density …
heterostructure have been investigated using a first principles method based on density …
Aryne cycloaddition reaction as a facile and mild modification method for design of electrode materials for high-performance symmetric supercapacitor
E Sviridova, M Li, A Barras, A Addad, MS Yusubov… - Electrochimica …, 2021 - Elsevier
Covalent modification of graphene-based materials can be considered as one of the most
promising methods for tailoring their electrochemical properties and extending their …
promising methods for tailoring their electrochemical properties and extending their …
Monolayer Mo2C as anodes for magnesium-ion batteries
K Fan, J Tang, Q Sun - Journal of Molecular Modeling, 2020 - Springer
The adsorption and diffusion behaviors of magnesium (Mg) on monolayer Mo 2 C have
been investigated by the first principles method based on density functional theory (DFT) …
been investigated by the first principles method based on density functional theory (DFT) …
First-principles study of the interactions between graphene oxide and amine-functionalized carbon nanotube
We applied plane-wave density functional theory to study the effects of chemical
functionalizations of graphene and carbon nanotube (CNT) on the properties of graphene …
functionalizations of graphene and carbon nanotube (CNT) on the properties of graphene …
Latest Fabrication Approaches for Surface Modified Carbon Materials: Carbon Nanotubes and Graphene
1D/2D materials with extraordinary properties have put forward a worldwide interest
amongst all the scientists and researchers across the globe. The exceptional known …
amongst all the scientists and researchers across the globe. The exceptional known …