25th anniversary article: chemically modified/doped carbon nanotubes & graphene for optimized nanostructures & nanodevices
Outstanding pristine properties of carbon nanotubes and graphene have limited the scope
for real‐life applications without precise controllability of the material structures and …
for real‐life applications without precise controllability of the material structures and …
Effective Work Functions of the Elements: Database, Most probable value, Previously recommended value, Polycrystalline thermionic contrast, Change at critical …
H Kawano - Progress in surface science, 2022 - Elsevier
As a much-enriched supplement to the previous review paper entitled the “Effective work
functions for ionic and electronic emissions from mono-and polycrystalline surfaces”[Prog …
functions for ionic and electronic emissions from mono-and polycrystalline surfaces”[Prog …
Nitrogen-doped carbon nanotubes and graphene composite structures for energy and catalytic applications
Substitutional heteroatom doping is a promising route to modulate the outstanding material
properties of carbon nanotubes and graphene for customized applications …
properties of carbon nanotubes and graphene for customized applications …
First-principles study of metal adatom adsorption on graphene
The adsorption of 12 different metal adatoms on graphene is studied using first-principles
density-functional theory with the generalized gradient approximation. The adsorption …
density-functional theory with the generalized gradient approximation. The adsorption …
Systematic conversion of single walled carbon nanotubes into n-type thermoelectric materials by molecular dopants
Y Nonoguchi, K Ohashi, R Kanazawa, K Ashiba… - Scientific reports, 2013 - nature.com
Thermoelectrics is a challenging issue for modern and future energy conversion and
recovery technology. Carbon nanotubes are promising active thermoelectic materials owing …
recovery technology. Carbon nanotubes are promising active thermoelectic materials owing …
Covalent electron transfer chemistry of graphene with diazonium salts
Graphene is an atomically thin, two-dimensional allotrope of carbon with exceptionally high
carrier mobilities, thermal conductivity, and mechanical strength. From a chemist's …
carrier mobilities, thermal conductivity, and mechanical strength. From a chemist's …
Effect of chemical doping of boron and nitrogen on the electronic, optical, and electrochemical properties of carbon nanotubes
This review covers the electronic, optical and electrochemical properties along with
electronic behaviors of boron (B) and nitrogen (N) substituted Single Wall Carbon …
electronic behaviors of boron (B) and nitrogen (N) substituted Single Wall Carbon …
Screened hybrid density functionals for solid-state chemistry and physics
BG Janesko, TM Henderson… - Physical Chemistry …, 2009 - pubs.rsc.org
Density functional theory incorporating hybrid exchange–correlation functionals has been
extraordinarily successful in providing accurate, computationally tractable treatments of …
extraordinarily successful in providing accurate, computationally tractable treatments of …
Accurate treatment of solids with the HSE screened hybrid
Density functional theory (DFT) is the most widely used technique in the realm of first‐
principles electronic structure methods. Principally, this is because DFT in the Kohn–Sham …
principles electronic structure methods. Principally, this is because DFT in the Kohn–Sham …
Nitrogen-, phosphorous-and boron-doped carbon nanotubes as catalysts for the aerobic oxidation of cyclohexane
Y Cao, H Yu, J Tan, F Peng, H Wang, J Li, W Zheng… - Carbon, 2013 - Elsevier
Nitrogen-, phosphorous-and boron-doped carbon nanotubes (N-CNTs, P-CNTs and B-
CNTs) were prepared by a chemical vapor deposition method using xylene as carbon …
CNTs) were prepared by a chemical vapor deposition method using xylene as carbon …