|
|
|
|
|
Yunong Zhang, Anmin Zhang, Miao Gao and Yi Liang
The three-dimensional (3D) visualization of the electronic navigation chart (ENC) can reflect the marine environment and various marine features truly, accurately, and directly, to reduce misoperation during chart use and improve the convenience of using...
ver más
|
|
|
|
|
|
|
|
|
|
|
Gladys Casiano-Jiménez, César Ortega-López, Jairo Arbey Rodríguez-Martínez, María Guadalupe Moreno-Armenta and Miguel J. Espitia-Rico
Poor electron-related cutting current in graphene-based field-effect transistors (FETs) can be solved by placing a graphene layer over a hexagonal boron nitride (BN) substrate, as established by Giovannetti et al. and other researchers. In order to produ...
ver más
|
|
|
|
|
|
|
|
|
|
|
Piero Ferrari and Ewald Janssens
This work uses small single-atom doped gold clusters as model systems for understanding fundamental physical aspects of Ag-Au, Pt-Au, and Pd-Au alloy nanoparticles. Understanding their intrinsic properties is highly desirable in view of better designed b...
ver más
|
|
|
|
|
|
|
|
|
|
|
Roman F. Nalewajski
Several applications of quantum mechanics and information theory to chemical reactivity problems are presented with emphasis on equivalence of variational principles for the constrained minima of the system electronic energy and its kinetic energy compon...
ver más
|
|
|
|
|
|
|
|
|
|
|
Masato Morita, Shigeyuki Yamada, Tomohiro Agou, Toshio Kubota and Tsutomu Konno
Organic luminescent materials have a wide range of practical applications, but the understanding of the relationship between molecular structure and luminescent behavior is lacking. Herein, we synthesized fluorinated bistolanes with an electron-donating ...
ver más
|
|
|
|
|
|
|
|
|
|
|
Meixi Chen, James H. Hack, Xi Lin, Anderson Janotti and Robert L. Opila
The electrical passivation mechanism of benzoquinone-methanol solutions on silicon has been examined through the study of the silicon surface electronic structure. Surface photovoltage (SPV) measurements using both X-ray photoelectron spectroscopy (XPS) ...
ver más
|
|
|
|
|
|
|
|
|
|
|
Dmitry Wainstein, Anatoly Kovalev, Vladimir Vakhrushev, Raul Gago and Jose L. Endrino
Multilayer nanolaminate TiAlN/Ag and Al2O3/Ag metal-insulator-metal (MIM) coatings with thicknesses of individual layers from a few to several hundreds of nanometers were fabricated by direct current magnetron sputtering. Their optical transmittance and ...
ver más
|
|
|
|
|
|
|
|
|
|
|
Fredrik Nilsson and Ferdi Aryasetiawan
Substantial progress has been achieved in the last couple of decades in computing the electronic structure of correlated materials from first principles. This progress has been driven by parallel development in theory and numerical algorithms. Theoretica...
ver más
|
|
|
|
|
|
|
|
|
|
|
Fredrik Nilsson and Ferdi Aryasetiawan
-
|
|
|
|
|
|
|
|
|
|
|
John P. Perdew, Jianwei Sun, Adrienn Ruzsinszky, Pál D. Mezei, Gábor István Csonka
Pág. 2 - 7
While most molecules and solids are spin-unpolarized, most chemically-active atoms are partly spin-polarized. As a result, the errors of the spin-dependence of a density functional are much more troublesome for atomization energies than they are for typi...
ver más
|
|
|
|
|
|
|
|
|
|
|
Csaba E. Szakacs, Erika F. Merschrod S. and Kristin M. Poduska
-
|
|
|
|
|
|
|
|
|
|
|
Per Söderlind, Lin H. Yang, Alexander Landa and Amanda Wu
Elasticity, lattice dynamics, and thermal expansion for uranium and U?6Nb alloy (elastic moduli) are calculated from density functional theory that is extended to include orbital polarization (DFT+OP). Introducing 12.5 at.% of niobium, substitutionally, ...
ver más
|
|
|
|
|
|
|
|
|
|
|
Petr M. Korusenko, Olga V. Petrova and Alexander S. Vinogradov
Currently, electrically conductive polymers based on transition metal complexes [M(Salen)], as well as their composites, are among the systems showing promise as catalysts, electrochromic and electroluminescent materials, and electrodes for energy storag...
ver más
|
|
|
|
|
|
|
|
|
|
|
|
Mark P. Heitz, Kristina L. Fuller and Kaitlin A. Ordiway
We present steady-state and time-resolved fluorescence spectroscopic data derived from coumarin 153 (C153) in a binary solution comprised of trihexyltetradecylphosphonium chloride ([P6,6,6,14]+Cl-) and supercritical CO2 (scCO2). Steady-state fluorescence...
ver más
|
|
|
|
|
|
|
|
|
|
|
Per Söderlind, Alexander Landa, Aurélien Perron, Emily E. Moore and Christine Wu
Thermodynamics of plutonium monocarbide is studied from first-principles theory that includes relativistic electronic structure and anharmonic lattice vibrations. Density-functional theory (DFT) is expanded to include orbital-orbital coupling in addition...
ver más
|
|
|
|
|
|
|
|
|
|
|
Alexandre Merlen, Josephus Gerardus Buijnsters and Cedric Pardanaud
sp2 hybridized carbons constitute a broad class of solid phases composed primarily of elemental carbon and can be either synthetic or naturally occurring. Some examples are graphite, chars, soot, graphene, carbon nanotubes, pyrolytic carbon, and diamond-...
ver más
|
|
|
|
|
|
|
|
|
|
|
Andrey A. Kistanov
Defects are an integral part of the structure of various two-dimensional materials (2D), including 2D transition-metal dichalcogenides. These defects usually govern their electronic properties. In this work, simulations based on the density functional th...
ver más
|
|
|
|
|
|
|
|
|
|
|
Jae-Hyeon Park, Seong-Keun Jeong and Hyun-Ung Oh
A critical-strain-based methodology was proposed to overcome the theoretical limitations of Steinberg?s method, and its effectiveness was experimentally verified through fatigue tests of ball grid arrays, column grid arrays, and lead-type specimens on pr...
ver más
|
|
|
|
|
|
|
|
|
|
|
Muhammad Mufti Mubarok
Pág. 431 - 439
In the post-economic crisis in 1998, Indonesia experienced significant economic growth. Public consumption activities have become vulnerable due to open economic activities. In this case, the government has issued Law Number 8 of 1999 concerning Consumer...
ver más
|
|
|
|
|
|