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Hybrid density-functional theory calculations of electronic and optical properties of mercaptocarboxylic acids on ZnO $(10{\overline 1}0)$ surfaces

Dennis Franke、Michael Lorke、Thomas Frauenheim 等 4 位作者2018-10-04arXiv

In this work we investigate the electronic properties of mercaptocarboxylic acids with several carbon chain lengths adsorbed on ZnO-(10-10) surfaces via density functional theory calculations using semi-local and hybrid exchange-correlation functionals. Amongst the investigated structures, we identify the monodentate…

Materials Science

Superconductivity in Few-Layer Stanene

Menghan Liao、Yunyi Zang、Zhaoyong Guan 等 14 位作者2018-10-04arXiv

A single atomic slice of α-tin-stanene-has been predicted to host quantum spin Hall effect at room temperature, offering an ideal platform to study low-dimensional and topological physics. While recent research has intensively focused on monolayer stanene, the quantum size effect in few-layer stanene could profoundly…

Materials Science

Possible origin of β -relaxation in amorphous metal alloys from atomic-mass differences of the constituents

Bingyu Cui、Zach Evenson、Beibei Fan 等 6 位作者2018-10-04Physical review. B./Physical review. B

We employ an atomic-scale theory within the framework of nonaffine lattice dynamics to uncover the origin of the Johari-Goldstein (JG) $\ensuremath{\beta}$-relaxation in metallic glasses (MGs). Combining simulation and experimental data with our theoretical approach, we reveal that the large mass asymmetry between the…

Material Dynamics and PropertiesGlass properties and applicationsMetallic Glasses and Amorphous Alloys

Realizing an Epitaxial Stanene with an Insulating Bandgap

Yunyi Zang、Tian Jiang、Yan Gong 等 15 位作者2018-10-04arXiv

Stanene, a single atomic layer of Sn in a honeycomb lattice, is predicted a candidate wide bandgap two-dimensional (2D) topological insulator and can host intriguing topological states of matter such as quantum anomalous Hall effect and topological superconductivity with different surface modifications. Despite intens…

Materials Science

Controlling electron flow in anisotropic Dirac materials heterojunctions: a super-diverging lens

Y. Betancur-Ocampo2018-10-04arXiv

Ballistic heterojunctions of Dirac materials offer the opportunity of exploring optics-like phenomena in electronic systems. In this paper, a new perfect lens through special positive refraction is predicted with omnidirectional Klein tunneling of massless Dirac fermions. The novel optics component called a super-dive…

Mesoscale and Nanoscale PhysicsMaterials Science

Grain Boundary Sliding and Amorphization are Responsible for the Reverse Hall-Petch Relation in Superhard Nanocrystalline Boron Carbide

Dezhou Guo、Shuangxi Song、Ruichun Luo 等 7 位作者2018-10-04Physical Review Letters

The recent observation of the reverse Hall-Petch relation in nanocrystalline ceramics offers a possible pathway to achieve enhanced ductility for traditional brittle ceramics via the nanosize effect, just as nanocrystalline metals and alloys. However, the underlying deformation mechanisms of nanocrystalline ceramics h…

Metal and Thin Film MechanicsDiamond and Carbon-based Materials ResearchBoron and Carbon Nanomaterials Research

Tuning the Conductivity of Nanocomposites through Nanoparticle Migration and Interface Crossing in Immiscible Polymer Blends: A Review on Fundamental Understanding

Reza Salehiyan、Suprakas Sinha Ray2018-10-04Macromolecular Materials and Engineering

Abstract This article critically reviews the detailed fundamental understanding of the influence of conductive nanoparticle migration on the localization, and hence, electrical conductivity of immiscible polymer blend nanocomposites. Three types of conductive nanoparticles, namely, spherical, tubular, and platelet, ar…

Polymer crystallization and propertiesPolymer Nanocomposites and PropertiesDielectric materials and actuators

Repeated Intrinsic Self-Healing of Wider Cracks in Polymer via Dynamic Reversible Covalent Bonding Molecularly Combined with a Two-Way Shape Memory Effect

Long Fan、Min Zhi Rong、Ming Qiu Zhang 等 4 位作者2018-10-04ACS Applied Materials & Interfaces

To enable repeated intrinsic self-healing of wider cracks in polymers, a proof-of-concept approach is verified in the present work. It operates through two-way shape memory effect (SME)-aided intrinsic self-healing. Accordingly, a reversible C-ON bond is introduced into the main chain of crosslinked polyurethane (PU)…

Polymer composites and self-healingSynthetic Organic Chemistry MethodsSynthesis and properties of polymers

Automated Scalpel Patterning of Solution Processed Thin Films for Fabrication of Transparent MXene Microsupercapacitors

Pol Sallés、Evan Quain、Narendra Kurra 等 5 位作者2018-10-04Small

Abstract A simple and generic strategy is proposed to pattern thin films deposited by a solution processable route. A soft approach based on an automated scalpel technique is developed to engrave thin films in a single step for sculpting functional planar devices. MXenes—the emerging family of 2D transition metal carb…

Supercapacitor Materials and FabricationAdvanced Sensor and Energy Harvesting MaterialsMXene and MAX Phase Materials

Quantum machine learning for electronic structure calculations

Rongxin Xia、Sabre Kais2018-10-04Nature Communications

Abstract Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations—alongside impressive results using machine learning techniques for computation—hybridizing quantum computing with machine learning for the intent of performing electronic stru…

Quantum Computing Algorithms and ArchitectureMachine Learning in Materials ScienceAdvanced Physical and Chemical Molecular Interactions

Nanostructure of electrospun collagen: Do electrospun collagen fibers form native structures?

Katie H. Sizeland、Kathleen Hofman、Ian C. Hallett 等 11 位作者2018-10-04Materialia

Collagen extracts can be electrospun to form fibers. The nanoscale structure of these fibers is not known but is expected to affect the biocompatibility of the spun materials. Collagen extracts from Macruronus novaezelandiae (hoki) skin were electrospun to form a fibrous material. The structure of the electrospun coll…

Electrospun Nanofibers in Biomedical ApplicationsSilk-based biomaterials and applicationsCollagen: Extraction and Characterization

Antimicrobial and Cytotoxicity Effects of Synthesized Silver Nanoparticles from Punica granatum Peel Extract

Sandhanasamy Devanesan、Mohamad S. AlSalhi、Radhakrishnan Vishnu Balaji 等 9 位作者2018-10-04Nanoscale Research Letters

To address the growing challenges from drug-resistant microbes and tumor incidence, approaches are being undertaken to phytosynthesize metal nanoparticles, particularly silver nanoparticles, to get remedial measure. In this study, an attempt has been made to utilize a major biowaste product, pomegranate fruit peel (Pu…

Nanoparticles: synthesis and applicationsPomegranate: compositions and health benefits

Pineapple Peel-Derived Carbon Dots: Applications as Sensor, Molecular Keypad Lock, and Memory Device

S. Anbu Anjugam Vandarkuzhali、Natarajan Sampathkumar、Shanmugapriya Jeyabalan 等 7 位作者2018-10-04ACS Omega

High Resolution Image Download MS PowerPoint Slide Herein, the fluorescent carbon dots (CDs) with blue emission were prepared by hydrothermal treatment using pineapple peel as a source of carbon. The as-prepared CDs exhibited turn-Off fluorescence behavior toward Hg 2+ and subsequent turn-On behavior for l -cysteine a…

Advanced biosensing and bioanalysis techniquesCarbon and Quantum Dots ApplicationsNanocluster Synthesis and Applications

Characterization and Evaluation of Carboxymethyl Cellulose-Based Films for Healing of Full-Thickness Wounds in Normal and Diabetic Rats

Poulami Basu、Uttamchand NarendraKumar、Ruckmani Arunachalam 等 5 位作者2018-10-04ACS Omega

Artificial skin substitute made of polymeric films are of great demand in the field of skin tissue engineering. We report here the fabrication of carboxymethyl cellulose (CMC) and poly(ethylene glycol) (PEG) blend films by solution casting method for wound healing applications. The physicochemical characteristics and…

Electrospun Nanofibers in Biomedical ApplicationsWound Healing and TreatmentsSilk-based biomaterials and applications

Spore Carbon from Aspergillus Oryzae for Advanced Electrochemical Energy Storage

Yu Zhong、Xinhui Xia、Shengjue Deng 等 9 位作者2018-10-04Advanced Materials

Abstract Development of novel advanced carbon materials is playing a critical role in the innovation of electrochemical energy storage technology. Hierarchical porous spore carbon produced by Aspergillus oryzae is reported, which acts as a biofactory. Interestingly, the spore carbon not only shows a porous maze struct…

Advancements in Battery MaterialsSupercapacitor Materials and FabricationAdvanced battery technologies research

Contact angle measurement of free-standing square-millimeter single-layer graphene

Anna V. Prydatko、L. A. Belyaeva、Lin Jiang 等 5 位作者2018-10-04Nature Communications

Square millimeters of free-standing graphene do not exist per se because of thermal fluctuations in two-dimensional crystals and their tendency to collapse during the detachment from the substrate. Here we form millimeter-scale freely suspended graphene by injecting an air bubble underneath a graphene monolayer floati…

Graphene research and applicationsNanopore and Nanochannel Transport StudiesSolar-Powered Water Purification Methods

Origin of Broad Emission Spectra in InP Quantum Dots: Contributions from Structural and Electronic Disorder

Eric M. Janke、Nicholas Williams、Chunxing She 等 12 位作者2018-10-04Journal of the American Chemical Society

The ensemble emission spectra of colloidal InP quantum dots are broader than achievable spectra of cadmium- and lead-based quantum dots, despite similar single-particle line widths and significant efforts invested in the improvement of synthetic protocols. We seek to explain the origin of persistently broad ensemble e…

Semiconductor Quantum Structures and DevicesQuantum Dots Synthesis And PropertiesChalcogenide Semiconductor Thin Films

Mesoporous Organosilica Hollow Nanoparticles: Synthesis and Applications

Zhaogang Teng、Wei Li、Yuxin Tang 等 6 位作者2018-10-04Advanced Materials

Hollow periodic mesoporous organosilicas (PMOs) with molecularly homogeneous organic functional groups in the inorganic pore walls are attracting more and more attention due to the high surface areas, tunable pore sizes, low densities, large cavities in the center, permeable thin shells, and versatile organic-inorgani…

Mesoporous Materials and CatalysisPolyoxometalates: Synthesis and ApplicationsLayered Double Hydroxides Synthesis and Applications

Reversible self-assembly of superstructured networks

Ronit Freeman、Ming Han、Zaida Álvarez 等 12 位作者2018-10-04OpenAlex

Soft structures in nature, such as protein assemblies, can organize reversibly into functional and often hierarchical architectures through noncovalent interactions. Molecularly encoding this dynamic capability in synthetic materials has remained an elusive goal. We report on hydrogels of peptide-DNA conjugates and pe…

Supramolecular Self-Assembly in MaterialsAdvanced Materials and MechanicsModular Robots and Swarm Intelligence

Compact folded metasurface spectrometer

MohammadSadegh Faraji-Dana、Ehsan Arbabi、Amir Arbabi 等 6 位作者2018-10-04OpenAlex

An optical design space that can highly benefit from the recent developments in metasurfaces is the folded optics architecture where light is confined between reflective surfaces, and the wavefront is controlled at the reflective interfaces. In this manuscript, we introduce the concept of folded metasurface optics by…

Metamaterials and Metasurfaces ApplicationsPlasmonic and Surface Plasmon ResearchOptical Coatings and Gratings