Progress on first-principles-based materials design for hydrogen storage

Stability of hydrogenation states of graphene and conditions for hydrogen spillover

(2012) Sang Soo Han et al.   PHYSICAL REVIEW B

Isolated Metal Atom Geometries as a Strategy for Selective Heterogeneous Hydrogenations

(2012) Georgios Kyriakou et al.   SCIENCE

Fundamental studies and perceptions on the spillover mechanism for hydrogen storage

(2011) George M. Psofogiannakis et al.   CHEMICAL COMMUNICATIONS

Ab initio study of Kubas-type dihydrogen fixation onto d-orbital states of Ca adatoms

(2011) Janghwan Cha et al.   CHEMICAL PHYSICS LETTERS

Hydrogen Storage in Metal–Organic Frameworks

(2011) Myunghyun Paik Suh et al.   CHEMICAL REVIEWS

Assessing weak hydrogen binding on Ca+ centers: An accurate many-body study with large basis sets

(2011) Wirawan Purwanto et al.   JOURNAL OF CHEMICAL PHYSICS

High H2 Uptake in Li-, Na-, K-Metalated Covalent Organic Frameworks and Metal Organic Frameworks at 298 K

(2011) José L. Mendoza-Cortés et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Effect of Shuttling Catalyst on the Migration of Hydrogen Adatoms: A Strategy for the Facile Hydrogenation of Graphene

(2011) Sang Soo Han et al.   Journal of Physical Chemistry C

Improved H2 Storage in Zeolitic Imidazolate Frameworks Using Li+, Na+, and K+ Dopants, with an Emphasis on Delivery H2 Uptake

(2011) Sang Soo Han et al.   Journal of Physical Chemistry C

Air-stable magnesium nanocomposites provide rapid and high-capacity hydrogen storage without using heavy-metal catalysts

(2011) Ki-Joon Jeon et al.   NATURE MATERIALS

Beryllium-dihydrogen complexes on nanostructures

(2010) Hoonkyung Lee et al.   APPLIED PHYSICS LETTERS

Solid-state Materials and Methods for Hydrogen Storage: A Critical Review

(2010) K. L. Lim et al.   CHEMICAL ENGINEERING & TECHNOLOGY

Modeling the Charge Transfer between Alkali Metals and Polycyclic Aromatic Hydrocarbons Using Electronic Structure Methods

(2010) Thomas A. Baker et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Functionalized Porous Silicas with Unsaturated Early Transition Metal Moieties as Hydrogen Storage Materials: Comparison of Metal and Oxidation State

(2010) Ahmad Hamaed et al.   Journal of Physical Chemistry C

Iron-Decorated, Functionalized Metal Organic Framework for High-Capacity Hydrogen Storage: First-Principles Calculations

(2010) Moon-Hyun Cha et al.   Journal of Physical Chemistry C

Effect of Catalyst Size on Hydrogen Storage Capacity of Pt-Impregnated Active Carbon via Spillover

(2010) Cheng-Si Tsao et al.   Journal of Physical Chemistry Letters

Calcium-Decorated Graphene-Based Nanostructures for Hydrogen Storage

(2010) Hoonkyung Lee et al.   NANO LETTERS

ReleasingH2molecules with a partial pressure difference without the use of temperature

(2010) Hoonkyung Lee et al.   PHYSICAL REVIEW B

Quantum Monte Carlo calculations of dihydrogen binding energetics on Ca cations: An assessment of errors in density functionals for weakly bonded systems

(2010) Michal Bajdich et al.   PHYSICAL REVIEW B

Cha, Choi, and Park Reply:

(2010) Janghwan Cha et al.   PHYSICAL REVIEW LETTERS

Ultrahigh Porosity in Metal-Organic Frameworks

(2010) H. Furukawa et al.   SCIENCE

Enhanced Hydrogen Storage by Palladium Nanoparticles Fabricated in a Redox-Active Metal-Organic Framework

(2009) Young Eun Cheon et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Postsynthetic modification of metal–organic frameworks

(2009) Zhenqiang Wang et al.   CHEMICAL SOCIETY REVIEWS

Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks

(2009) Sang Soo Han et al.   CHEMICAL SOCIETY REVIEWS

Theoretical Study of Hydrogen Storage in Ca-Coated Fullerenes

(2009) Qian Wang et al.   Journal of Chemical Theory and Computation

Post-Synthesis Alkoxide Formation Within Metal−Organic Framework Materials: A Strategy for Incorporating Highly Coordinatively Unsaturated Metal Ions

(2009) Karen L. Mulfort et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT Study of Hydrogen Storage by Spillover on Graphite with Oxygen Surface Groups

(2009) George M. Psofogiannakis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Highly Permeable Zeolite Imidazolate Framework-8 Membranes for CO2/CH4Separation

(2009) Surendar R. Venna et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crossover between multipole Coulomb and Kubas interactions in hydrogen adsorption on metal-graphene complexes

(2009) Gyubong Kim et al.   PHYSICAL REVIEW B

Inaccuracy of Density Functional Theory Calculations for Dihydrogen Binding Energetics onto Ca Cation Centers

(2009) Janghwan Cha et al.   PHYSICAL REVIEW LETTERS

A Path to Sustainable Energy by 2030

(2009) Mark Z. Jacobson et al.   SCIENTIFIC AMERICAN

Hydrogen Storage in Microporous Metal-Organic Frameworks with Exposed Metal Sites

(2008) Mircea Dincă et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen storage in alkali-metal-decorated organic molecules

(2008) Bing Huang et al.   APPLIED PHYSICS LETTERS

The current status of hydrogen storage in metal–organic frameworks

(2008) Dan Zhao et al.   Energy & Environmental Science

Interaction of D2with Ti-Adsorbed Polyaniline and Implication for Hydrogen Storage

(2008) Tae Seung Kim et al.   JOURNAL OF PHYSICAL CHEMISTRY B

H2Storage Materials (22KJ/mol) Using Organometallic Ti Fragments as σ-H2Binding Sites

(2008) Ahmad Hamaed et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Room-temperature dissociative hydrogen chemisorption on boron-doped fullerenes

(2008) Hoonkyung Lee et al.   PHYSICAL REVIEW B

High Capacity Hydrogen Absorption in Transition Metal-Ethylene Complexes Observed via Nanogravimetry

(2008) A. B. Phillips et al.   PHYSICAL REVIEW LETTERS

Calcium as the Superior Coating Metal in Functionalization of Carbon Fullerenes for High-Capacity Hydrogen Storage

(2008) Mina Yoon et al.   PHYSICAL REVIEW LETTERS