4.7 Article

Influence of Pt decoration on the hydrogen storage performance of cup-stacked carbon nanotubes: A DFT study

Related references

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

Investigation of the effect of oxygen-containing groups on the hydrogen adsorption behavior of CSCNTs using density functional theory

Yang Li et al.

Summary: The hydrogen adsorption behavior of carbon nanotubes decorated with -CO, -OH, and -COOH was investigated. The results show that the presence of oxygen-containing groups enhances the adsorption of hydrogen molecules, with -COOH exhibiting the strongest adsorption. Additionally, arranging -COOH molecules adjacent to each other effectively expands the adsorption surface and reduces steric hindrance.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2022)

Article Chemistry, Physical

Study on hydrogen uptake of CSCNTs with different etching degrees and apex angles by the GCMC simulation

Huanpeng Liu et al.

Summary: Through simulation studies, it was found that etching can increase the specific surface area of carbon nanotubes and enhance the C-H interaction, thereby improving hydrogen uptake capacity. An ideal CSCNTs structure with optimal hydrogen storage capacity was proposed based on the simulated results.

APPLIED SURFACE SCIENCE (2021)

Article Chemistry, Physical

High capacity reversible hydrogen storage in zirconium doped 2D-covalent triazine frameworks: Density Functional Theory investigations

Antara Vaidyanathan et al.

Summary: Using Density Functional Theory (DFT) simulations, this study investigated the hydrogen storage capability in zirconium-doped 2D CTF-1, finding the system to be stable and capable of high-capacity H-2 storage. It is proposed that zirconium-doped 2D CTF-1 could serve as a potential H-2 storage device.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2021)

Article Chemistry, Multidisciplinary

Removal of methylmercaptan pollution using Ni and Pt-decorated graphene: an ab-initio DFT study

A. Shahmoradi et al.

JOURNAL OF SULFUR CHEMISTRY (2020)

Article Chemistry, Physical

Oxygen-promoted hydrogen adsorption on activated and hybrid carbon materials

S. Schaefer et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)

Review Chemistry, Applied

Characteristics of MOF, MWCNT and graphene containing materials for hydrogen storage: A review

Kranthi Kumar Gangu et al.

JOURNAL OF ENERGY CHEMISTRY (2019)

Article Chemistry, Physical

A kind of conical cup-stacked carbon nanotube

Huanpeng Liu et al.

FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES (2019)

Article Chemistry, Physical

Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study

Valeria Verdinelli et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

Article Engineering, Environmental

Microwave-assistant preparation of N/S co-doped hierarchical porous carbons for hydrogen adsorption

Dandan Wang et al.

CHEMICAL ENGINEERING JOURNAL (2019)

Article Chemistry, Physical

Hydrogen storage on cross stacking nanocones

A. A. El-Barbary

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

Article Chemistry, Physical

Molecular and dissociated adsorption of hydrogen on TiC6H6

Jianfeng Wang et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

Article Chemistry, Physical

Pt doped (8,0) single wall carbon nanotube as hydrogen sensor: A density functional theory study

M. Ferdi Fellah

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

Article Chemistry, Physical

Hydrogen storage of dual-Ti-doped single-walled carbon nanotubes

Ling Yang et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2019)

Article Materials Science, Multidisciplinary

The activation and hydrogen storage characteristics of the cup-stacked carbon nanotubes

Yang Li et al.

DIAMOND AND RELATED MATERIALS (2019)

Article Chemistry, Physical

Intrinsic affinity of acid-activated bentonite towards hydrogen and carbon dioxide

Vasilica Alisa Arus et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2018)

Article Chemistry, Physical

The adsorption of CO, O2 and H2 on Li-doped defective (8,0) SWCNT: A DFT study

C. R. Luna et al.

APPLIED SURFACE SCIENCE (2018)

Article Chemistry, Physical

Hydrogen storage performance of platinum supported carbon nanohorns: A DFT study of reaction mechanisms, thermodynamics, and kinetics

Chompoonut Rungnim et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2018)

Review Chemistry, Physical

Production, storage, fuel stations of hydrogen and its utilization in automotive applications-a review

Tiago Sinigaglia et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2017)

Article Chemistry, Multidisciplinary

Enhancement of Hydrogen Sorption on Metal(Ni, Rh, Pd) Functionalized Carbon Nanotubes: a DFT Study

Xiao Lu et al.

CHEMICAL RESEARCH IN CHINESE UNIVERSITIES (2017)

Article Nanoscience & Nanotechnology

Density functional theory study of the adsorption of MeOH and EtOH on the surface of Pt-decorated graphene

Ali Shokuhi Rad

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES (2016)

Article Chemistry, Physical

A facile approach to prepare porous cup-stacked carbon nanotube with high performance in adsorption of methylene blue

Jiang Gong et al.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2015)

Article Chemistry, Physical

Theoretical study of hydrogen adsorption on nitrogen doped graphene decorated with palladium clusters

E. Rangel et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2014)

Article Chemistry, Physical

Hydrogen storage reactions on titanium decorated carbon nanocones theoretical study

A. S. Shalabi et al.

JOURNAL OF POWER SOURCES (2014)

Article Chemistry, Inorganic & Nuclear

Effect of p-type multi-walled carbon nanotubes for improving hydrogen storage behaviors

Seul-Yi Lee et al.

JOURNAL OF SOLID STATE CHEMISTRY (2014)

Article Chemistry, Physical

H2 adsorption in Ni and passivated Ni doped 4 Å single walled carbon nanotube

S. Seenithurai et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2013)

Article Chemistry, Physical

Effect of nitrogen induced defects in Li dispersed graphene on hydrogen storage

Sangho Lee et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2013)

Article Chemistry, Physical

Hydrogen adsorption on palladium dimer decorated graphene: A bonding study

I. Lopez-Corral et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2012)

Article Chemistry, Multidisciplinary

Multiwfn: A multifunctional wavefunction analyzer

Tian Lu et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Chemistry, Physical

Hydrogen Storage in Yttrium-Decorated Single Walled Carbon Nanotube

Brahmananda Chakraborty et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

Article Physics, Condensed Matter

Study on the electronic structure and hydrogen adsorption by transition metal decorated single wall carbon nanotubes

P. Modak et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2012)

Article Chemistry, Physical

Experimental and DFT study of thiol-stabilized Pt/CNTs catalysts

L. Li et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Interferents for hydrogen storage on a graphene sheet decorated with nickel: A DFT study

A. Sigal et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2011)

Article Materials Science, Multidisciplinary

First principles study of the physisorption of hydrogen molecule on graphene and carbon nanotube surfaces adhered by Pt atom

Pham Tien Lam et al.

COMPUTATIONAL MATERIALS SCIENCE (2010)

Article Materials Science, Multidisciplinary

Effect of chemical treatments on hydrogen storage behaviors of multi-walled carbon nanotubes

Seul-Yi Lee et al.

MATERIALS CHEMISTRY AND PHYSICS (2010)

Article Biochemical Research Methods

Gas sensing properties of platinum derivatives of single-walled carbon nanotubes: A DFT analysis

P. Pannopard et al.

JOURNAL OF MOLECULAR GRAPHICS & MODELLING (2009)

Article Chemistry, Physical

CO oxidation with Pt(111) supported on pure and boron-doped carbon: A DFT investigation

C. K. Acharya et al.

SURFACE SCIENCE (2008)

Review Multidisciplinary Sciences

Dihydrogen complexes as prototypes for the coordination chemistry of saturated molecules

Gregory J. Kubas

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)

Article Chemistry, Multidisciplinary

Stacked-cup carbon nanotubes for photoelectrochemical solar cells

T Hasobe et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)

Article Chemistry, Physical

Density functional study of the adsorption and separation of hydrogen in single-walled carbon nanotube

C Gu et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2004)

Article Materials Science, Multidisciplinary

Hydrogen uptake of carbon nanofiber under moderate temperature and low pressure

K Hanada et al.

DIAMOND AND RELATED MATERIALS (2003)

Article Physics, Applied

Hydrogen storage capacity of commercially available carbon materials at room temperature

H Kajiura et al.

APPLIED PHYSICS LETTERS (2003)

Article Physics, Applied

Structural characterization of cup-stacked-type nanofibers with an entirely hollow core

M Endo et al.

APPLIED PHYSICS LETTERS (2002)