Design principles for zero-strain Li-ion cathodes
The cycling of cathode materials for Li-ion batteries is often accompanied by a change in
volume, posing a challenge to the integrity of cathode particles and electrolyte/cathode …
volume, posing a challenge to the integrity of cathode particles and electrolyte/cathode …
Effect of interfacial microstructure on the mechanical properties of GNPs/Al composites
B Ju, W Yang, P Shao, M Hussain, Q Zhang, Z **u… - Carbon, 2020 - Elsevier
The interfacial bonding affects the performance of Graphene/Al matrix composites
significantly. However, the relationship between interfacial structure and mechanical …
significantly. However, the relationship between interfacial structure and mechanical …
Interactions between carbon-based nanoparticles and steroid hormone micropollutants in water
MN Nguyen, PG Weidler, R Schwaiger… - Journal of Hazardous …, 2021 - Elsevier
The occurrence of micropollutants (MPs) including steroid hormones is a global
environmental and health challenge. Carbon-based nanoparticles can be incorporated with …
environmental and health challenge. Carbon-based nanoparticles can be incorporated with …
Structural, electronic, and energetic investigations of acrolein adsorption on B36 borophene nanosheet: a dispersion-corrected DFT insight
The adsorption of acrolein (AC) onto the surface of B 36 borophene nanosheet was studied
using dispersion-corrected density functional theory (DFT). The structural and electronic …
using dispersion-corrected density functional theory (DFT). The structural and electronic …
Effects of dispersion corrections on the theoretical description of bulk metals
The addition of a London dispersion correction to standard Kohn-Sham density-functional
theory is essential for an accurate description of noncovalent interactions. While several …
theory is essential for an accurate description of noncovalent interactions. While several …
Removal of benzene by non-thermal plasma catalysis over manganese oxides through a facile synthesis method
Three manganese oxide catalysts (MnO x) were synthesized via a simple method, and then
they were introduced into the non-thermal plasma (NTP) system for benzene removal. The …
they were introduced into the non-thermal plasma (NTP) system for benzene removal. The …
van der Waals Correction to the Physisorption of Graphene on Metal Surfaces
Adsorption is a scientifically and technologically important interfacial phenomenon, which
however presents challenges to conventional density functional theory (DFT) due to the long …
however presents challenges to conventional density functional theory (DFT) due to the long …
Oxidation effect on the shear strength of graphene on aluminum and titanium surfaces
We report the interfacial shear strength of graphene on pure and oxidized Ti and Al metal
surfaces using density functional theory calculations. Our results show significant changes to …
surfaces using density functional theory calculations. Our results show significant changes to …
Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites
We report the sliding adhesion of hexagonal boron nitride (hBN) and graphene on silica
using single nanotube pullout force measurements and potential energy landscape …
using single nanotube pullout force measurements and potential energy landscape …
Powder‐Metallurgical Fabrication and Electrical Contact Resistance Characterization of Copper–Nickel Composites Reinforced by Multiwalled Carbon Nanotubes
This article studies copper (Cu)‐based composites alloyed with nickel (Ni) and reinforced
with carbon nanotubes (CNTs) fabricated via powder metallurgy under pressureless …
with carbon nanotubes (CNTs) fabricated via powder metallurgy under pressureless …