Effects of Strain on Electronic Properties of Graphene

We present first-principles calculations of electronic properties of graphene under uniaxial and isotropic strains, respectively. The semi-metallic nature is shown to persist up to a very large uniaxial strain of 30% except a very narrow strain range where a tiny energy gap opens. As the uniaxial strain increases along a certain direction, the Fermi velocity parallel to it decreases quickly and vanishes eventually, whereas the Fermi velocity perpendicular to it increases by as much as 25%. Thus, the low energy properties with small uniaxial strains can be described by the generalized Weyl's equation while massless and massive electrons coexist with large ones. The work function is also predicted to increase substantially as both the uniaxial and isotropic strain increases. Hence, the homogeneous strain in graphene can be regarded as the effective electronic scalar potential.Comment: 4 pages, 6 figures; Published versio

Improved H_2 Storage in Zeolitic Imidazolate Frameworks Using Li^+, Na^+, and K^+ Dopants, with an Emphasis on Delivery H_2 Uptake

We use grand canonical Monte Carlo simulations with first principles based force fields to show that alkali metal (Li^+, Na^+, and K^+)-doped zeolitic imidazolate frameworks (ZIFs) lead to significant improvement of H_2 uptake at room temperature. For example, at 298 K and 100 bar, Li-ZIF-70 totally binds to 3.08 wt % H_2, Na-ZIF-70 to 2.19 wt % H_2, and K-ZIF-70 to 1.62 wt % H_2, much higher than 0.74 wt % H_2 for pristine ZIF-70. Thus, the dopant effect follows the order of Li-ZIF > Na-ZIF > K-ZIF, which correlates with the H_2 binding energies to the dopants. Moreover, the total H_2 uptake is higher at lower temperatures: 243 K > 273 K > 298 K. On the other hand, delivery H_2 uptake, which is the difference between the total adsorption at the charging pressure (say 100 bar) and the discharging pressure (say 5 bar), is the important factor for practical on-board hydrogen storage in vehicles. We show that delivery H_2 uptake leads to Na-ZIF-70 (1.37 wt %) > K-ZIF-70 (1.25 wt %) > Li-ZIF-70 (1.07 wt %) > ZIF-70 (0.68 wt %), which is different from the trend from the total and excess uptake. Moreover, the delivery uptake increases with increasing temperatures (i.e., 298 K > 273 K > 243 K)! To achieve high delivery H_2 uptake at room temperature, the large free volume of ZIFs is required. We find that higher H_2 binding energy needs not always lead to higher delivery H_2 uptake

Zeolitic Imidazolate Frameworks as H_2 Adsorbents: Ab Initio Based Grand Canonical Monte Carlo Simulation

We report the H_2 uptake behavior of 10 zeolitic−imidazolate frameworks (ZIFs), based on grand canonical Monte Carlo (GCMC) simulations. The force fields (FFs) describing the interactions between H_2 and ZIF in the GCMC were based on ab initio quantum mechanical (QM) calculations (MP2) aimed at correctly describing London dispersion (van der Waals attraction). Thus these predictions of H_2 uptake are based on first principles (non empirical) and hence applicable to new framework materials for which there is no empirical data. For each of these 10 ZIFs we report the total and excess H_2 adsorption isotherms up to 100 bar at both 77 and 300 K. We report the hydrogen adsorption sites in the ZIFs and the relationships between H_2 uptake amount, isosteric heat of adsorption (Q_(st)), surface area, and free volume. Our simulation shows that various ZIFs lead to a variety of H_2 adsorption behaviors in contrast to the metal−organic frameworks (MOFs). This is because ZIFs leads to greater diversity in the adsorption sites (depending on both organic linkers and zeolite topologies) than in MOFs. In particular, the ZIFs uptake larger amounts of H_2 at low pressure because of the high H_2 adsorption energy, and ZIFs have a variety of H_2 adsorption sites. For example, ZIF-11 has an initial Q_(st) value of ~15 kJ/mol, which is higher than observed for MOFs. Moreover, the preferential H_2 adsorption site in ZIFs is onto the organic linker, not nearby the metallic joint as is the case for MOFs

Planting and harvesting innovation - an analysis of Samsung Electronics

This study explores how firms manage the entire life cycle of innovation projects based on the framework of harvesting and planting innovation. While harvesting innovation seeks new products in the expectation of financial performance in the short term, planting innovation pursues creating value over a long time period. Without proper management of the process of planting and harvesting innovation, firms with limited resources may not be successful in launching innovative new products to seize a momentum in high tech industries. To examine this issue, the case of Samsung Electronics (SE), now an electronics giant originated from a former developing country, is analyzed. SE has shown to effectively utilize co-innovation to maintain numerous planting and harvesting innovation projects. Both researchers and practitioners would be interested in learning about how SE shared risks of innovation investment with external partners at the early stage of innovation cycles

A Milestone in Codifying the Wisdom of Traditional Oriental Medicine: TCM, Kampo, TKM, TVM—WHO International Standard Terminologies on Traditional Medicine in the Western Pacific Region

The WHO published a dictionary-type book entitled ‘WHO International Standard Terminologies on Traditional Medicine in the Western Pacific Region’ which has a total of 3259 technical terms which have been commonly used in traditional Chinese (TCM), Japanese (Kampo), Korean (TKM) and Vietnamese (TVM) medicines. In this comprehensive guide, each term has the English expression, the original Chinese character and a concise English definition. The book covers 3106 terms from basic theories, diagnostics, diseases, various therapeutics including acupuncture and moxibustion and even the English wording of 153 titles which are considered the most important traditional medical classics published in these four countries. A prominent feature of the compilation is the codification format that assigns numbers in hundred decimal units for each category of the section. This type of coding system provides the flexibility for adding more terminologies in the future and is useful for constructing a database for the retrieval of various published scientific articles. Overall, the usage of these standard terminologies is highly desirable to deliver accurate meanings, and ultimately to avoid a variety of expressions for a single term in different scientific manuscripts on Oriental medicine