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Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study
Soonchul Kwon, Seung Geol Lee 한국탄소학회 Carbon Letters 5 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.3 6 198-202 (5 pages)
on electronic properties such as adsorption energy and electronic band gap. Interestingly, the presence of neighboring defect sites led to a reduction of H2 dissociation and CO poisoning due to atomic Pt filling the defect sites. At distant sites, H2 dissociation was active on Pt, but CO filled the defect sites to form carbon π-π bonds, thus enhancing the oxidation of the carbon surface. It should be noted that defect sites can cause CO poisoning, thereby deactivating the anode gradually. -
Molecular approach to hexagonal and cubic diamond nanocrystals
Mudar Ahmed Abdulsattar 한국탄소학회 Carbon Letters 6 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.3 5 192-197 (6 pages)
cubic diamondoid structures. The calculated binding energy per atom shows that wurtzoids are tighter structures than diamondoids. Distribution of angles and bonds manifest the main differences between hexagonal and cubic diamond-type structures. Charge transfer, infrared, nuclear magnetic resonance and ultraviolet-visible spectra are investigated to identify the main spectroscopic differences between hexagonal and cubic structures at the molecular and nanoscale. Natural bond orbital population... -
Nanoporous graphene oxide membrane and its application in molecular sieving
S. Mahmood Fatemi, Masoud Arabieh, Hamid Sepehrian 한국탄소학회 Carbon Letters 9 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.3 4 183-191 (9 pages)
Gas transport through graphene-derived membranes has gained much interest recently due to its promising potential in filtration and separation applications. In this work, we explore Kr-85 gas radionuclide sequestration from natural air in nanoporous graphene oxide membranes in which different sizes and geometries of pores were modeled on the graphene oxide sheet. This was done using atomistic simulations considering mean-squared displacement, diffusion coefficient, number of crossed species of... -
Effects of cross-linking methods for polyethylene-based carbon fibers: review
Kwan-Woo Kim, Hye-Min Lee, Jeong-Hun An, Byoung-Suhk Kim, Byung-Gak Min, Shin-Jae Kang, Kay-Hyeok An, Byung-Joo Kim 한국탄소학회 Carbon Letters 24 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.3 2 147-170 (24 pages)
In recent decades, there has been an increasing interest in the use of carbon fiber reinforced plastic (CFRP) in aerospace, renewable energy and other industries, due to its low weight and relatively good mechanical properties compared with traditional metals. However, due to the high cost of petroleum-based precursors and their associated processing costs, CF remains a specialty product and as such has been limited to use in high-end aerospace, sporting goods, automotive, and specialist... -
Bulk graphite: materials and manufacturing process
Sang-Min Lee, Dong-Su Kang and Jea-Seung Roh 한국탄소학회 Carbon Letters 12 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.3 1 135-146 (12 pages)
Graphite can be classified into natural graphite from mines and artificial graphite. Due to its outstanding properties such as light weight, thermal resistance, electrical conductivity, thermal conductivity, chemical stability, and high-temperature strength, artificial graphite is used across various industries in powder form and bulk form. Artificial graphite of powder form is usually used as anode materials for secondary cells, while artificial graphite of bulk form is used in steelmaking... -
Mechanisms of Na adsorption on graphene and graphene oxide: density functional theory approach
Hye Sook Moon, Ji Hye Lee, Soonchul Kwon, Il Tae Kim, Seung Geol Lee 한국탄소학회 Carbon Letters 5 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.2 7 116-120 (5 pages)
We investigated the adsorption of Na on graphene and graphene oxide, which are used as anode materials in sodium ion batteries, using density functional theory. The adsorption energy for Na on graphene was -0.507 eV at the hollow sites, implying that adsorption was favorable. In the case of graphene oxide, Na atoms were separately adsorbed on the epoxide and hydroxyl functional groups. The adsorption of Na on graphene oxide-epoxide (adsorption energy of -1.024 eV) was found to be stronger than... -
Functionalization of graphene nanoplatelets using sugar azide for graphene/epoxy nanocomposites
Saswata Bose, Lawrence T. Drzal 한국탄소학회 Carbon Letters 6 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.2 5 101-106 (6 pages)
We report a covalent functionalization of graphene nanoparticles (GnPs) employing 2,3,4-Tri-O-acetyl-β-D-xylopyranosyl azide followed by fabrication of an epoxy/functionalized graphene nanocomposite and an evaluation of its thermo-mechanical performance. Successful functionalization of GnP was confirmed via thermal and spectroscopic study. Raman spectroscopy indicated that the functionalization was on the edge of the graphene sheets; the basal plane was not perturbed as a result of the... -
CO2 adsorption characteristics of slit-pore shaped activated carbon prepared from cokes with high crystallinity
Mi-Seon Park, Si-Eun Lee, Min Il Kim and Young-Seak Lee 한국탄소학회 Carbon Letters 6 Pages
한국탄소학회 Carbon Letters 2015, Vol.16 No.1 7 45-50 (6 pages)
that it consists mainly of slit-like pores. Compared to other textural forms of AC that have higher pore volumes, this slit-poreshaped hc-AC exhibits higher CO2 adsorption due to the similar shape between its pores and CO2 molecules. Additionally, in these high-crystallinity cokes, the main factor affecting CO2 adsorption at lower temperature is the pore structure, whereas the presence of oxygen functional groups on the surface has a greater impact on CO2 adsorption at higher temperature. -
Overlook of carbonaceous adsorbents and processing methods for elemental mercury removal
Kyong-Min Bae, Byung-Joo Kim and Soo-Jin Park 한국탄소학회 Carbon Letters 9 Pages
한국탄소학회 Carbon Letters 2014, Vol.15 No.4 2 238-246 (9 pages)
People have been concerned about mercury emissions for decades because of the extreme toxicity, persistence, and bioaccumulation of methyl Hg transformed from emitted Hg. This paper presents an overview of research related to mercury control technology and identifies areas requiring additional research and development. It critically reviews measured mercury emissions progress in the development of promising control technologies. This review provides useful information to scientists and engineers... -
Carbon-allotropes: synthesis methods, applications and future perspectives
P. S. Karthik, A. L. Himaja and Surya Prakash Singh 한국탄소학회 Carbon Letters 19 Pages
한국탄소학회 Carbon Letters 2014, Vol.15 No.4 1 219-237 (19 pages)
The element carbon has been used as a source of energy for the past few hundred years, and now in this era of technology, carbon has played a significant and very prominent role in almost all fields of science and technology. So as an honour to this marvellous element, we humans should know about its various forms of existence. In this review article, we shed light on all possible carbon-allotropes; similarities in their synthesis techniques and the starting materials; their wide range of...


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