4.1 Article

Functionalization of single-walled (n,0) carbon and boron nitride nanotubes by carbonyl derivatives (n=5, 6): a DFT study

Related references

Note: Only part of the references are listed.
Article Chemistry, Multidisciplinary

Enhanced capacitance of a nitrogen-containing carbon-based nanocomposite via noncovalent functionalization method

Nur Izzatie Hannah Razman et al.

JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY (2015)

Article Chemistry, Multidisciplinary

A theoretical study on surface reactivity of fluorinated (n,0) and (n,n) carbon nanotubes (n=3-6)

Mehdi D. Esrafili et al.

CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE (2014)

Article Chemistry, Physical

Nitrogen-doped (6,0) carbon nanotubes: A comparative DFT study based on surface reactivity descriptors

Mehdi D. Esrafili

COMPUTATIONAL AND THEORETICAL CHEMISTRY (2013)

Article Chemistry, Physical

Ab initio simulations of doped single-walled carbon nanotube sensors

Jamal A. Talla

CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Open and capped (5,5) armchair SWCNTs: A comparative study of DFT-based reactivity descriptors

Soumen Saha et al.

CHEMICAL PHYSICS LETTERS (2012)

Article Biochemistry & Molecular Biology

OH-functionalized open-ended armchair single-wall carbon nanotubes (SWCNT) studied by density functional theory

Elzbieta Chelmecka et al.

JOURNAL OF MOLECULAR MODELING (2012)

Article Materials Science, Multidisciplinary

Characterization of thermal transport in low-dimensional boron nitride nanostructures

Cem Sevik et al.

PHYSICAL REVIEW B (2011)

Article Chemistry, Physical

H-2 storage on single- and multi-walled carbon nanotubes

Gerasimos E. Ioannatos et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2010)

Article Chemistry, Physical

Reactivities of Sites on (5,5) Single-Walled Carbon Nanotubes with and without a Stone-Wales Defect

T. C. Dinadayalane et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Biochemistry & Molecular Biology

Average local ionization energy: A review

Peter Politzer et al.

JOURNAL OF MOLECULAR MODELING (2010)

Article Biochemistry & Molecular Biology

Quantitative analysis of molecular surfaces: areas, volumes, electrostatic potentials and average local ionization energies

Felipe A. Bulat et al.

JOURNAL OF MOLECULAR MODELING (2010)

Article Chemistry, Physical

First Principles Studies of Nitrogen Doped Carbon Nanotubes for Dioxygen Reduction

Shizhong Yang et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2010)

Article Chemistry, Multidisciplinary

A computational study of water adsorption on boron nitride nanotube

Javad Beheshtian et al.

STRUCTURAL CHEMISTRY (2010)

Article Chemistry, Physical

Carbon nanotubes/poly(ε-caprolactone) composite vapour sensors

Mickael Castro et al.

CARBON (2009)

Article Nanoscience & Nanotechnology

Density functional theory study of atomic oxygen, O2 and O3 adsorptions on the H-capped (5,0) single-walled carbon nanotube

Rabee Khorrampour et al.

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2009)

Article Chemistry, Physical

Supercritical hydrogen adsorption of ultramicropore-enriched single-wall carbon nanotube sheet

Dong Young Kim et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2007)

Review Physics, Condensed Matter

Carbon nanomaterials in biological systems

Pu Chun Ke et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2007)

Review Chemistry, Multidisciplinary

Boron nitride nanotubes

Dmitri Golberg et al.

ADVANCED MATERIALS (2007)

Article Biochemistry & Molecular Biology

Halogen bonding and the design of new materials: organic bromides, chlorides and perhaps even fluorides as donors

Peter Politzer et al.

JOURNAL OF MOLECULAR MODELING (2007)

Article Physics, Condensed Matter

Electronic structure of defects and quantum transport in carbon nanotubes

JH Eom et al.

PHYSICA B-CONDENSED MATTER (2006)

Article Chemistry, Multidisciplinary

Protein-assisted solubilization of single-walled carbon nanotubes

SS Karajanagi et al.

LANGMUIR (2006)

Article Biochemistry & Molecular Biology

An unusual feature of end-substituted model carbon (6,0) nanotubes

P Politzer et al.

JOURNAL OF MOLECULAR MODELING (2005)

Article Physics, Applied

Magnetism in BN nanotubes induced by carbon doping

RQ Wu et al.

APPLIED PHYSICS LETTERS (2005)

Article Biochemistry & Molecular Biology

Comparative analysis of surface electrostatic potentials of carbon, boron/nitrogen and carbon/boron/nitrogen model nanotubes

P Politzer et al.

JOURNAL OF MOLECULAR MODELING (2005)

Article Chemistry, Multidisciplinary

Solubilization of boron nitride nanotubes

SY Xie et al.

CHEMICAL COMMUNICATIONS (2005)

Article Multidisciplinary Sciences

Carbon nanotube single-electron transistors at room temperature

HWC Postma et al.

SCIENCE (2001)