4.7 Article

Toward hydrogen storage material in fluorinated zirconium metal-organic framework (MOF-801): A periodic density functional theory (DFT) study of fluorination and adsorption

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

Hydrogen adsorption properties of in-situ synthesized Pt-decorated porous carbons templated from zeolite EMC-2

Zhuxian Yang et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2020)

Article Chemistry, Inorganic & Nuclear

A fluorinated Zr-based MOF of high porosity for high CH4 storage

Dian Zhao et al.

JOURNAL OF SOLID STATE CHEMISTRY (2019)

Article Physics, Condensed Matter

Zirconium-Based Metal-Organic UiO-66, UiO-66-NDC and MOF-801 Frameworks. Influence of the Linker Effect on the Hydrogen Sorption Efficiency

K. S. Vetlitsyna-Novikova et al.

JOURNAL OF SURFACE INVESTIGATION (2019)

Article Chemistry, Multidisciplinary

Optimized synthesis of Zr(iv) metal organic frameworks (MOFs-808) for efficient hydrogen storage

Jiong Xu et al.

NEW JOURNAL OF CHEMISTRY (2019)

Article Environmental Sciences

BTEX removal from aqueous solution with hydrophobic Zr metal organic frameworks

Ricardo Navarro Amador et al.

JOURNAL OF ENVIRONMENTAL MANAGEMENT (2018)

Article Chemistry, Inorganic & Nuclear

High Volumetric Hydrogen Adsorption in a Porous Anthracene-Decorated Metal-Organic Framework

Yong Yan et al.

INORGANIC CHEMISTRY (2018)

Article Chemistry, Physical

Large-Scale Refinement of Metal-Organic Framework Structures Using Density Functional Theory

Dalar Nazarian et al.

CHEMISTRY OF MATERIALS (2017)

Article Chemistry, Physical

Hydrogen adsorption on graphene sheets and nonporous graphitized thermal carbon black at low surface coverage

Z. W. Zhu et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2017)

Article Materials Science, Multidisciplinary

Hydrogen adsorption on graphene sheets doped with group 8B transition metal: A DFT investigation

Chanukorn Tabtimsai et al.

VACUUM (2017)

Review Materials Science, Multidisciplinary

Fluorine-functionalized metal-organic frameworks and porous coordination polymers

Shin-ichiro Noro et al.

NPG ASIA MATERIALS (2017)

Article Chemistry, Inorganic & Nuclear

An efficient combination of Zr-MOF and microwave irradiation in catalytic Lewis acid Friedel-Crafts benzoylation

Tan L. H. Doan et al.

DALTON TRANSACTIONS (2016)

Article Chemistry, Inorganic & Nuclear

Prediction of hydrogen storage properties of Zr-based MOFs

Liangzhi Xia et al.

INORGANICA CHIMICA ACTA (2016)

Article Chemistry, Multidisciplinary

Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology

Thomas A. Manz et al.

RSC ADVANCES (2016)

Article Chemistry, Multidisciplinary

CP2K: atomistic simulations of condensed matter systems

Juerg Hutter et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)

Article Chemistry, Inorganic & Nuclear

New Hybrid Zirconium Aminophosphonates Containing Piperidine and Bipiperidine Groups

Marco Taddei et al.

INORGANIC CHEMISTRY (2011)

Article Chemistry, Physical

Ab initio and periodic DFT investigation of hydrogen storage on light metal-decorated MOF-5

Mudit Dixit et al.

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY (2011)

Article Chemistry, Physical

CO2 solvation free energy using quasi-chemical theory

Dian Jiao et al.

JOURNAL OF CHEMICAL PHYSICS (2011)

Review Chemistry, Multidisciplinary

Toward Solar Fuels: Photocatalytic Conversion of Carbon Dioxide to Hydrocarbons

Somnath C. Roy et al.

ACS NANO (2010)

Article Chemistry, Physical

A density functional theory study on the interaction of hydrogen molecule with MOF-177

Ganga P. Dangi et al.

MOLECULAR SIMULATION (2010)

Article Chemistry, Physical

Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional

Carlos Campana et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)

Article Chemistry, Multidisciplinary

Ab Initio Study of Hydrogen Adsorption in MOF-5

Kaido Sillar et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

Article Chemistry, Multidisciplinary

A new zirconium inorganic building brick forming metal organic frameworks with exceptional stability

Jasmina Hafizovic Cavka et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Chemistry, Physical

Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases

Joost VandeVondele et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Multidisciplinary

Semiempirical GGA-type density functional constructed with a long-range dispersion correction

Stefan Grimme

JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)

Article Physics, Multidisciplinary

Direct observation of hydrogen adsorption sites and nanocage formation in metal-organic frameworks

T Yildirim et al.

PHYSICAL REVIEW LETTERS (2005)

Article Chemistry, Physical

A density functional theory study of hydrogen adsorption in MOF-5

T Mueller et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2005)

Article Chemistry, Multidisciplinary

Light metal hydrides and complex hydrides for hydrogen storage

F Schüth et al.

CHEMICAL COMMUNICATIONS (2004)

Article Astronomy & Astrophysics

Hydrogen storage in carbon nanotubes

M Becher et al.

COMPTES RENDUS PHYSIQUE (2003)

Review Multidisciplinary Sciences

Hydrogen-storage materials for mobile applications

L Schlapbach et al.

NATURE (2001)