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https://www.readbyqxmd.com/read/28938836/spin-polarization-and-magnetic-characteristics-at-c6h6-co2mnsi-001-spinterface
#1
Meifang Sun, Xiaocha Wang, Wenbo Mi
Organic materials with mechanical flexibility, low cost, chemical engineering, and long spin lifetime attract considerable attention for building spintronic devices. Here, a C6H6/Co2MnSi(001) spinterface is investigated by first-principles calculations and spin-polarized scanning tunneling microscopy simulations. Several high symmetry adsorption sites are discussed, together with two possible surface terminations of Co2MnSi(001). An inversion of the spin polarization is induced near EF even in the case of an external electric field, indicating that C6H6 can act as a spin filter to exploit the spin injection efficiency in organic spintronic devices...
September 21, 2017: Journal of Chemical Physics
https://www.readbyqxmd.com/read/28935111/evaluation-of-virus-like-particle-based-tumor-associated-carbohydrate-immunogen-in-a-mouse-tumor-model
#2
Suttipun Sungsuwan, Xuanjun Wu, Xuefei Huang
Tumor-associated carbohydrate antigens (TACAs) are attractive targets for anticancer vaccine development. Due to the low immunogenicity of TACAs, a powerful carrier system is needed to boost immune responses. Virus-like particles (VLPs) are an exciting platform for delivering TACAs to the immune system. The high symmetry of VLPs enables the display of TACAs in an organized manner, which in turn can potently activate antibody secreting B cells, eliciting high titers of antiglycan IgG antibodies. In this chapter, the protocol for conjugating a prototypical TACA, the Tn antigen to a VLP, bacteriophage Qβ, is presented...
2017: Methods in Enzymology
https://www.readbyqxmd.com/read/28921975/intricacies-of-van-der-waals-interactions-in-systems-with-elongated-bonds-revealed-by-electron-groups-embedding-and-high-level-coupled-cluster-approaches
#3
Ewa Pastorczak, Jun Shen, Michal Hapka, Piotr Piecuch, Katarzyna Pernal
Non-covalent interactions between molecules with stretched intramonomer covalent bonds are a fascinating, yet little studied area. This shortage of information stems largely from the inability of most of the commonly used computational quantum chemistry methods to accurately describe weak long-range and strong non-dynamic correlations at the same time. In this work, we propose a geminal-based approach, abbreviated as EERPA-GVB, capable of describing such systems in a robust manner using relatively inexpensive computational steps...
September 18, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28900593/deposition-of-exchange-coupled-dinickel-complexes-on-gold-substrates-utilizing-ambidentate-mercapto-carboxylato-ligands
#4
Martin Börner, Laura Blömer, Marcus Kischel, Peter Richter, Georgeta Salvan, Dietrich R T Zahn, Pablo F Siles, Maria E N Fuentes, Carlos C B Bufon, Daniel Grimm, Oliver G Schmidt, Daniel Breite, Bernd Abel, Berthold Kersting
The chemisorption of magnetically bistable transition metal complexes on planar surfaces has recently attracted increased scientific interest due to its potential application in various fields, including molecular spintronics. In this work, the synthesis of mixed-ligand complexes of the type [Ni(II)2L(L')](ClO4), where L represents a 24-membered macrocyclic hexaazadithiophenolate ligand and L' is a ω-mercapto-carboxylato ligand (L' = HS(CH2)5CO2(-) (6), HS(CH2)10CO2(-) (7), or HS(C6H4)2CO2(-) (8)), and their ability to adsorb on gold surfaces is reported...
2017: Beilstein Journal of Nanotechnology
https://www.readbyqxmd.com/read/28900107/giant-magnetoelectric-effects-achieved-by-tuning-spin-cone-symmetry-in-y-type-hexaferrites
#5
Kun Zhai, Yan Wu, Shipeng Shen, Wei Tian, Huibo Cao, Yisheng Chai, Bryan C Chakoumakos, Dashan Shang, Liqin Yan, Fangwei Wang, Young Sun
Multiferroics materials, which exhibit coupled magnetic and ferroelectric properties, have attracted tremendous research interest because of their potential in constructing next-generation multifunctional devices. The application of single-phase multiferroics is currently limited by their usually small magnetoelectric effects. Here, we report the realization of giant magnetoelectric effects in a Y-type hexaferrite Ba0.4Sr1.6Mg2Fe12O22 single crystal, which exhibits record-breaking direct and converse magnetoelectric coefficients and a large electric-field-reversed magnetization...
September 12, 2017: Nature Communications
https://www.readbyqxmd.com/read/28895612/achiral-flexible-liquid-crystal-trimers-exhibiting-gyroid-like-surfaces-in-chiral-conglomerate-phases
#6
Haruna Sasaki, Yoichi Takanishi, Jun Yamamoto, Atsushi Yoshizawa
Chiral conglomerate phases have attracted much attention not only for the spontaneous mirror symmetry breaking but also for their nanostructures. We investigated both surface and bulk structures of a homologues series of an achiral liquid crystal trimer I-(n,m) exhibiting soft crystalline chiral conglomerate phases by atomic force microscopy (AFM) and scanning electron microscopy (SEM). The trimers were found to form bicontinuous networks. In particular, trimer I-(9,9) exhibited a single gyroid-like surface accompanying periodic distribution of dimples with a size of about 100 nm...
September 12, 2017: Soft Matter
https://www.readbyqxmd.com/read/28894135/observing-a-scale-anomaly-and-a-universal-quantum-phase-transition-in-graphene
#7
O Ovdat, Jinhai Mao, Yuhang Jiang, E Y Andrei, E Akkermans
One of the most interesting predictions resulting from quantum physics, is the violation of classical symmetries, collectively referred to as anomalies. A remarkable class of anomalies occurs when the continuous scale symmetry of a scale-free quantum system is broken into a discrete scale symmetry for a critical value of a control parameter. This is an example of a (zero temperature) quantum phase transition. Such an anomaly takes place for the quantum inverse square potential known to describe 'Efimov physics'...
September 11, 2017: Nature Communications
https://www.readbyqxmd.com/read/28873306/mixing-behavior-in-binary-anionic-gemini-surfactant-perfluorinated-fatty-acid-langmuir-monolayers
#8
Jeveria Rehman, David Sowah-Kuma, Amy L Stevens, Wei Bu, Matthew F Paige
The miscibility and film structure of mixed Langmuir monolayer films comprised of an anionic gemini N, N, N', N'dialkyl-N,N'-diacetate ethylenediamine surfactant (Ace(12)-2-Ace(12)) with perfluorotetradecanoic acid (C13F27COOH; PF) has been investigated using a variety of thermodynamic and structural characterization methods. The two film components were found to be miscible in monolayers at the air-water interface over a range of compositions and at all but the lowest surface pressures, with attractive interactions occurring between the two components...
September 5, 2017: Langmuir: the ACS Journal of Surfaces and Colloids
https://www.readbyqxmd.com/read/28873212/simulation-analysis-of-rectifying-microfluidic-mixing-with-field-effect-tunable-electrothermal-induced-flow
#9
Weiyu Liu, Yukun Ren, Ye Tao, Bobin Yao, You Li
We report herein field-effect control on in-phase electrothermal streaming from a theoretical point of view, a phenomenon termed "alternating-current electrothermal-flow field effect transistor" (ACET-FFET), in the context of a new technology for handing analytes in microfluidics. Field-effect control through a gate terminal endows ACET-FFET the ability to generate arbitrary symmetry breaking in the transverse vortex flow pattern, which makes it attractive for mixing microfluidic samples. A computational model is developed to study the feasibility of this new microfluidic device design for micromixing...
September 5, 2017: Electrophoresis
https://www.readbyqxmd.com/read/28846999/magnetic-antiskyrmions-above-room-temperature-in-tetragonal-heusler-materials
#10
Ajaya K Nayak, Vivek Kumar, Tianping Ma, Peter Werner, Eckhard Pippel, Roshnee Sahoo, Franoise Damay, Ulrich K Rößler, Claudia Felser, Stuart S P Parkin
Magnetic skyrmions are topologically stable, vortex-like objects surrounded by chiral boundaries that separate a region of reversed magnetization from the surrounding magnetized material. They are closely related to nanoscopic chiral magnetic domain walls, which could be used as memory and logic elements for conventional and neuromorphic computing applications that go beyond Moore's law. Of particular interest is 'racetrack memory', which is composed of vertical magnetic nanowires, each accommodating of the order of 100 domain walls, and that shows promise as a solid state, non-volatile memory with exceptional capacity and performance...
August 31, 2017: Nature
https://www.readbyqxmd.com/read/28842555/hierarchically-self-assembled-hexagonal-honeycomb-and-kagome-superlattices-of-binary-1d-colloids
#11
Sung-Hwan Lim, Taehoon Lee, Younghoon Oh, Theyencheri Narayanan, Bong June Sung, Sung-Min Choi
Synthesis of binary nanoparticle superlattices has attracted attention for a broad spectrum of potential applications. However, this has remained challenging for one-dimensional nanoparticle systems. In this study, we investigate the packing behavior of one-dimensional nanoparticles of different diameters into a hexagonally packed cylindrical micellar system and demonstrate that binary one-dimensional nanoparticle superlattices of two different symmetries can be obtained by tuning particle diameter and mixing ratios...
August 25, 2017: Nature Communications
https://www.readbyqxmd.com/read/28836439/a-naphtho-p-quinodimethane-exhibiting-baird-s-anti-aromaticity-broken-symmetry-and-attractive-photoluminescence
#12
Siamak Shokri, Jingbai Li, Manoj K Manna, Gary P Wiederrecht, David J Gosztola, Angel Ugrinov, Steffen Jockusch, Andrey Yu Rogachev, A Jean-Luc Ayitou
We report a novel reductive desulfurization reaction involving π-acidic naphthalene diimides (NDI) 1 using thionating agents such as Lawesson's reagent. Along with the expected thionated NDI derivatives 2-6, new heterocyclic naphtho-p-quinodimethane compounds 7 depicting broken/reduced symmetry were successfully isolated and fully characterized. Empirical studies and theoretical modeling suggest that 7 was formed via a six-membered ring oxathiaphosphenine intermediate rather than the usual four-membered ring oxathiaphosphetane of 2-6...
September 11, 2017: Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28782828/intramolecular-interactions-in-sterically-crowded-hydrocarbon-molecules
#13
Oinam Romesh Meitei, Andreas Heßelmann
A molecular fragmentation method has been used to analyze the intramolecular interactions in the three molecules coupled diamantane, hexaphenylethane, and all-meta-tert-butyl substituted hexaphenylethane. The significance of these systems lies in the fact, that steric crowding effects enable a stabilization of the central carbon bond that possesses an extended length (1.6 to 1.7 Å) beyond conventional carbon-carbon bonds due to the steric repulsion of the attached hydrocarbon groups. The total stability of these molecules therefore depends on a delicate balance between attractive interaction forces on the one hand and on repulsive forces on the other hand...
August 7, 2017: Journal of Computational Chemistry
https://www.readbyqxmd.com/read/28770919/unconventional-magnetic-anisotropy-in-one-dimensional-rashba-system-realized-by-adsorbing-gd-atom-on-zigzag-graphene-nanoribbons
#14
Zhenzhen Qin, Guangzhao Qin, Bin Shao, Xu Zuo
The Rashba effect, a spin splitting in electronic band structures, attracts much attention for potential applications in spintronics with no requirement of an external magnetic field. Realizing a one-dimensional (1D) Rashba system is a big challenge due to the difficulties of growing high-quality heavy-metal nanowires or introducing strong spin-orbit coupling (SOC) and broken inversion symmetry in flexible materials. Here, based on first-principles calculations, we propose a pathway to realize the Rashba spin-split by adsorbing Gd atom on zigzag graphene nanoribbons (Gd-ZGNR) and further investigate the magnetic anisotropy energy (MAE)...
August 3, 2017: Nanoscale
https://www.readbyqxmd.com/read/28758714/tiered-electron-anions-in-multiple-voids-of-lascsi-and-their-applications-to-ammonia-synthesis
#15
Jiazhen Wu, Yutong Gong, Takeshi Inoshita, Daniel C Fredrickson, Junjie Wang, Yangfan Lu, Masaaki Kitano, Hideo Hosono
Electrides-compounds in which electrons localized in interstitial spaces periodically serve as anions-have attracted broad attention for their exotic properties, such as extraordinary electron-donating ability. In our efforts to expand this small family of phases, LaScSi emerges as a promising candidate. Its electron count is 2e(-) f.u.(-1) in excess of that expected from the Zintl concept, while its structure offers interstitial spaces that can accommodate these extra electrons. Herein, this potential is explored through density functional theory (DFT) calculations and property measurements on LaScSi...
July 31, 2017: Advanced Materials
https://www.readbyqxmd.com/read/28754380/magnetocapillary-self-assemblies-locomotion-and-micromanipulation-along-a-liquid-interface
#16
REVIEW
G Grosjean, M Hubert, N Vandewalle
This paper presents an overview and discussion of magnetocapillary self-assemblies. New results are presented, in particular concerning the possible development of future applications. These self-organizing structures possess the notable ability to move along an interface when powered by an oscillatory, uniform magnetic field. The system is constructed as follows. Soft magnetic particles are placed on a liquid interface, and submitted to a magnetic induction field. An attractive force due to the curvature of the interface around the particles competes with an interaction between magnetic dipoles...
July 20, 2017: Advances in Colloid and Interface Science
https://www.readbyqxmd.com/read/28753375/self-assembly-of-colloidal-molecules-due-to-self-generated-flow
#17
Ran Niu, Thomas Palberg, Thomas Speck
The emergence of structure through aggregation is a fascinating topic and of both fundamental and practical interest. Here we demonstrate that self-generated solvent flow can be used to generate long-range attractions on the colloidal scale, with subpiconewton forces extending into the millimeter range. We observe a rich dynamic behavior with the formation and fusion of small clusters resembling molecules. The dynamics of this assembly is governed by an effective conservative energy that for large separations r decays as 1/r...
July 14, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28753359/type-ii-symmetry-protected-topological-dirac-semimetals
#18
Tay-Rong Chang, Su-Yang Xu, Daniel S Sanchez, Wei-Feng Tsai, Shin-Ming Huang, Guoqing Chang, Chuang-Han Hsu, Guang Bian, Ilya Belopolski, Zhi-Ming Yu, Shengyuan A Yang, Titus Neupert, Horng-Tay Jeng, Hsin Lin, M Zahid Hasan
The recent proposal of the type-II Weyl semimetal state has attracted significant interest. In this Letter, we propose the concept of the three-dimensional type-II Dirac fermion and theoretically identify this new symmetry-protected topological state in the large family of transition-metal icosagenides, MA_{3} (M=V, Nb, Ta; A=Al, Ga, In). We show that the VAl_{3} family features a pair of strongly Lorentz-violating type-II Dirac nodes and that each Dirac node can be split into four type-II Weyl nodes with chiral charge ±1 via symmetry breaking...
July 14, 2017: Physical Review Letters
https://www.readbyqxmd.com/read/28749690/multiscale-molecular-dynamics-simulations-of-polaritonic-chemistry
#19
Hoi Ling Luk, Johannes Feist, J Jussi Toppari, Gerrit Groenhof
When photoactive molecules interact strongly with confined light modes as found in plasmonic structures or optical cavities, new hybrid light-matter states can form, the so-called polaritons. These polaritons are coherent superpositions (in the quantum mechanical sense) of excitations of the molecules and of the cavity photon or surface plasmon. Recent experimental and theoretical works suggest that access to these polaritons in cavities could provide a totally new and attractive paradigm for controlling chemical reactions that falls in between traditional chemical catalysis and coherent laser control...
August 17, 2017: Journal of Chemical Theory and Computation
https://www.readbyqxmd.com/read/28714681/-visible-5d-orbital-states-in-a-pleochroic-oxychloride
#20
Daigorou Hirai, Takeshi Yajima, Daisuke Nishio-Hamane, Changsu Kim, Hidefumi Akiyama, Mitsuaki Kawamura, Takahiro Misawa, Nobuyuki Abe, Taka-Hisa Arima, Zenji Hiroi
Transition metal compounds sometimes exhibit attractive colors. Here, we report a new oxychloride, Ca3ReO5Cl2, that shows unusually distinct pleochroism; that is, the material exhibits different colors depending on the viewing direction. This pleochroism is a consequence of the coincidental complex crystal field splitting of the 5d orbitals of the Re(6+) ion in a square-pyramidal coordination of low symmetry in the energy range of the visible spectrum. Since the relevant d-d transitions show characteristic polarization dependence according to the optical selection rule, the orbital states are "visible" in Ca3ReO5Cl2...
July 27, 2017: Journal of the American Chemical Society
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