Monolayer MoS2 Bandgap Modulation by Dielectric Environments and Tunable Bandgap Transistors
Semiconductors with a moderate bandgap have enabled modern electronic device
technology, and the current scaling trends down to nanometer scale have introduced two …
technology, and the current scaling trends down to nanometer scale have introduced two …
Stochastic generation of complex crystal structures combining group and graph theory with application to carbon
A method is introduced to stochastically generate crystal structures with defined structural
characteristics. Reasonable quotient graphs for symmetric crystals are constructed using a …
characteristics. Reasonable quotient graphs for symmetric crystals are constructed using a …
Carbon dots derived from human hair for ppb level chloroform sensing in water
Chlorination is a widely adopted disinfection method in water and wastewater treatment for
the protection of public health, as it greatly reduces pathogen risks and associated incidence …
the protection of public health, as it greatly reduces pathogen risks and associated incidence …
The physical properties of a novel carbon allotrope in tetragonal symmetry
M **ng, X Li - Journal of Electronic Materials, 2023 - Springer
A novel sp 3+ sp 2 hybridized carbon allotrope in the P 4/mmm phase, denoted as t P48
carbon, is proposed and predicted according to density functional theory. The t P48 carbon …
carbon, is proposed and predicted according to density functional theory. The t P48 carbon …
Finding multiple reaction pathways via global optimization of action
Global searching for reaction pathways is a long-standing challenge in computational
chemistry and biology. Most existing approaches perform only local searches due to …
chemistry and biology. Most existing approaches perform only local searches due to …
[HTML][HTML] Crystal structure prediction in a continuous representative space
IH Lee, KJ Chang - Computational Materials Science, 2021 - Elsevier
Here we report a method of finding multiple crystal structures similar to the known crystal
structures of materials on database through machine learning. The radial distribution …
structures of materials on database through machine learning. The radial distribution …
Diamond-XII: a new type of exotic cubic carbon allotrope
Based on the tetragonal diamond segments (CH4, C5H12, C14H24, C30H40, C55H60 and
C91H84), a new type of cubic carbon crystalline structure (Diamond-XII) with 12-fold …
C91H84), a new type of cubic carbon crystalline structure (Diamond-XII) with 12-fold …
Three non-metallic carbon materials with comparable electrical conductivity to metals
Q Fan, H Liu, Y Zhao, X Yu, S Yun - Diamond and Related Materials, 2022 - Elsevier
Carbon materials with metallic properties are very worthy of research because they possess
electrical and thermal conductivity and huge application potential in the manufacturing of …
electrical and thermal conductivity and huge application potential in the manufacturing of …
Activated carbons with adsorbed cations as photocatalysts for pollutants degradation in aqueous medium
V Sydorchuk, OI Poddubnaya, MM Tsyba… - Adsorption, 2019 - Springer
Oxidized activated carbon (AC) based on commercial coconut-shell carbon Aquacarb 607C
has been prepared. This AC has micro-mesoporous structure and contains surface carboxyl …
has been prepared. This AC has micro-mesoporous structure and contains surface carboxyl …
Surface reconstruction and band alignment of nonmetallic perovskites
Understanding the band alignment at oxide surfaces is of great importance for designing
oxide-surface-based electronic, catalytic, and photocatalytic applications. We systematically …
oxide-surface-based electronic, catalytic, and photocatalytic applications. We systematically …