Theoretical study on porphyrin based covalent organic polyhedra as a hydrogen storage

International Journal of Hydrogen Energy

Volumn 38, Issue 14, 2013, Pages 6234-6240

  Kim, Daejin ^a,d   Jung, Dong Hyun ^a   Guk, Hyein ^a   Han, Sang Soo ^b   Park, Noejung ^c   Choi, Kihang ^d   Choi, Seung Hoon ^a  

^a Insilicotech Co Ltd   (South Korea)

^b Korea Research Institute of Standards and Science   (South Korea)

^c Ulsan National Institute of Science and Technology   (South Korea)

^d Korea University   (South Korea)

Author keywords

Covalent organic polyhedra; Density functional theory; Hydrogen storage; Monte Carlo simulation; Porphyrin; Schiff base

Indexed keywords

CRYSTAL STRUCTURE; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; GEOMETRY; HYDROGEN; HYDROGEN STORAGE; INTELLIGENT SYSTEMS; MOLECULAR CRYSTALS; MOLECULES; ORGANIC POLYMERS; ORGANOMETALLICS; PORPHYRINS; SIMULATED ANNEALING;

COVALENT-ORGANIC POLYHEDRA; GRAND CANONICAL MONTE CARLO SIMULATION; LARGE SURFACE AREA; METAL ORGANIC FRAMEWORK; MODEL AND SIMULATION; MONTE CARLO SIMULATION METHODS; SCHIFF-BASE; THEORETICAL STUDY;

MONTE CARLO METHODS;

EID: 84876696310     PISSN: 03603199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijhydene.2013.01.054     Document Type: Article

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