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  • Kinetic Monte Carlo simulation for semiconductor processing: a review
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-09-20
    Ignacio Martin-Bragado, Ricardo Borges, Juan Pablo-Balbuena, Martin Jaraiz

    The Kinetic Monte Carlo (KMC) algorithm is a particularly apt technique to simulate the complex processing of semiconductor devices. In this review, some of the main processes used for semiconductor industries to manufacture transistor from semiconductor materials, namely implantation, annealing and epitaxial growth are reviewed. The evolution of defects created during such processing for the particular, and well known case, of silicon, is commented. Kinetic Monte Carlo modeling is introduced and contrasted briefly with a continuum approach. Particular models of different phenomena, using both object and lattice KMC, are shown: point defect migration, cluster formation, dopant activation and deactivation, damage accumulation, amorphization, recrystallization, solid phase and selective epitaxial regrowth, etc.In this work we describe the models, its implementation into KMC, and we show several comparisons with significant experimental data validating the KMC approach and showing its capabilities. How extra capabilities can be included by extending the models to current problems in the semiconductor industry is also commented, in particular the use of SiGe alloys and the introduction of stress dependencies.

    更新日期:2017-09-21
  • Nitrogen-doped simple and complex oxides for photocatalysis: a review
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-09-15
    Wei Wang, Moses O. Tadé, Zongping Shao

    Semiconductor-based photocatalysis plays a vital role in counteracting worldwide environmental pollution and energy shortage. How to design a visible-light-active photocatalyst is critical for efficient solar energy utilization. Many oxides including TiO2 are only photoactive in ultraviolet light and doping is an important strategy to extend the photoactive zone. Anion doping is superior to cation doping, which generates more harmful electron-hole recombination centers. Nitrogen doping is more effective than carbon/sulfur doping to achieve high visible-light response. Since 2001, nitrogen-doped TiO2 photocatalysts have attracted increasing attention due to their strong oxidizing power and considerable visible light response. Considering the fixed atomic environment in simple oxides, complex oxides are more attractive as photocatalysts because of their more flexible physical and chemical properties. To date, no review focuses on the designation strategies for nitrogen-doped simple/complex oxides with high visible-light photoactivity. In this review, the recent progress involving nitrogen-doped simple/complex oxides for photocatalysis is comprehensively summarized. Emphasis is placed on the factors that determine photocatalytic activity and related strategies for the design of active nitrogen-doped oxides. The future challenges are also discussed. This review aims to provide a summary of recent progress in nitrogen-doped oxides for photocatalysis and some useful guidelines for the future development.

    更新日期:2017-09-15
  • Additive Manufacturing of Biomaterials
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-08-26
    Susmita Bose, Dongxu Ke, Himanshu Sahasrabudhe, Amit Bandyopadhyay

    Biomaterials are used to engineer functional restoration of different tissues to improve human health and the quality of life. Biomaterials can be natural or synthetic. Additive manufacturing (AM) is a novel materials processing approach to create parts or prototypes layer-by-layer directly from a computer aided design (CAD) file. The combination of additive manufacturing and biomaterials is very promising, especially towards patient specific clinical applications. Challenges of AM technology along with related materials issues need to be realized to make this approach feasible for broader clinical needs. This approach is already making a significant gain towards numerous commercial biomedical devices. In this review, key additive manufacturing methods are first introduced followed by AM of different materials, and finally applications of AM in various treatment options. Realization of critical challenges and technical issues for different AM methods and biomaterial selections based on clinical needs are vital. Multidisciplinary research will be necessary to face those challenges and fully realize the potential of AM in the coming days.

    更新日期:2017-08-28
  • Polymer capsules as micro-/nanoreactors for therapeutic applications: Current strategies to control membrane permeability
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-08-14
    A. Larrañaga, M. Lomora, J.R. Sarasua, C.G. Palivan, A. Pandit

    Polymer capsules, fabricated either with the aid of a sacrificial template or via the self-assembly of block copolymers into polymer vesicles (polymersomes), have attracted a great deal of attention for their potential use as micro-/nanoreactors and artificial organelles for therapeutic applications. Compared to other biomedical applications of polymer capsules, such as drug delivery vehicles, where the polymer shell undergoes irreversible disruption/rupture that allows the release of the payload, the polymer shell in polymer micro-/nanoreactors has to maintain mechanical integrity while allowing the selective diffusion of reagents/reaction products. In the present review, strategies that permit precise control of the permeability of the polymer shell while preserving its architecture are documented and critiqued. Together with these strategies, specific examples where these polymer capsules have been employed as micro-/nanoreactors as well as approaches to scale-up and optimize these systems along with future perspectives for therapeutic applications in several degenerative diseases are elucidated.

    更新日期:2017-08-17
  • Graphene: A Versatile Platform for Nanotheranostics and Tissue Engineering
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-08-09
    Renu Geetha Bai, Neethu Ninan, Kasturi Muthoosamy, Sivakumar Manickam
    更新日期:2017-08-09
  • Biotemplated Synthesis of Inorganic Materials: An Emerging Paradigm for Nanomaterial Synthesis Inspired by Nature
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-08-08
    Brad A. Krajina, Amy C. Proctor, Alia P. Schoen, Andrew J. Spakowitz, Sarah C. Heilshorn

    Biomineralization, the process by which biological systems direct the synthesis of inorganic structures from organic templates, is an exquisite example of nanomaterial self-assembly in nature. Its products include the shells of mollusks and the bones and teeth of vertebrates. By comparison, conventional inorganic synthesis techniques provide limited control over inorganic nanomaterial architecture. Inspired by biomineralization in nature, over the last two decades, the field of biotemplating has emerged as a new paradigm for inorganic nanomaterial assembly, wherein researchers seek to design novel nano-structures in which inorganic nanomaterial synthesis is directed from an underlying biomolecular template. Here, we review the motivation, mechanistic understanding, progress, and challenges for the field of biotemplating. We highlight the interdisciplinary nature of this field, and survey a broad range of examples of bio-templated engineering: ranging from strategies that exploit the inherent capabilities of proteins in nature, to genetically-engineered systems that unlock new capabilities for self-assembly with biomolecules. We illustrate that the use of biological materials as templates for inorganic self-assembly holds tremendous potential for nanomaterial engineering, with applications that range from electronics and energy to medicine.

    更新日期:2017-08-09
  • Serration and Noise Behavior in Materials
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-08-04
    Yong Zhang, Jun Peng Liu, Shu Ying Chen, Xie Xie, Peter K. Liaw, Karin A. Dahmen, Jun Wei Qiao, Yan Li Wang

    Serrations and noise behaviors in plastically deforming solids are related to avalanches of deformation processes. In the stress-strain curves, the serrations characteristics are visible as stress drops or strain jumps. In fact, similar serration characteristics are ubiquitous in many structural and functional materials, such as amorphous materials [also metallic glasses, or bulk metallic glasses (BMGs)], high-entropy alloys (HEAs), superalloys, ordered intermetallics, shape-memory alloys (SMAs), electrochemical noise, carbon steels, twinning-induced plasticity steels (TWIP steels), phase-transformation-induced plasticity steels (TRIP steels), Al-Mg alloys, nano-materials, magnetic functional materials, and so on. Because of their unique and universal properties, many researchers have focused on this field to find out what causes the serration behaviors and what can be learned about the material from the serration characteristics. For example, the serration characteristics contain information about the mechanisms of plastic deformation and the structural evolution during deformation. However, due to many factors affecting the serration behavior and some uncertain or uncontrolled factors, it’s a difficult task to give a unified picture of a vast amount of serration data. This review article summarizes the results of previous studies in this rapidly-developing field, attempting to provide a new perspective in expounding the connection between macroscopic properties and micro-mechanisms. In this review paper, serration behavior of a wide range of materials will be discussed. One of the most important goals is to investigate the factors influencing serration characteristics and deformation mechanisms. Several statistical properties, such as distributions of stress drop sizes and waiting times, are reviewed and used to quantify the serration behavior. Moreover, models and theories on the serrated flow will be discussed that quantify the deformation mechanism in this field. Besides discussing serrations in stress-strain curves of many solid materials, this review paper will also cover other systerms with serrations and collective noise, such as crackling noise in the earth’s crust (earthquakes), volume fluctuations in a granular medium and jamming behavior in random-packing systems.

    更新日期:2017-08-07
  • A Review of Surfactants as Corrosion Inhibitors and Associated Modeling
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-07-27
    Yakun Zhu, Michael L. Free, Richard Woollam, William Durnie

    Surfactants have been commonly used as corrosion inhibitors for the protection of metallic materials against corrosion. The amphiphilic nature of surfactant molecules creates an affinity for adsorption at interfaces such as metal/metal oxide-water interface. The adsorption of surfactant on metals and metal oxides creates a barrier that can inhibit corrosion. The properties of surfactant and the interaction of surfactant with metal or metal oxide and the surrounding solution environments determine the level of adsorption and corrosion inhibition. Understanding and modeling the behavior of surfactants in corrosive environments is critical to optimal utilization of surfactants as corrosion inhibitors. This review of surfactants as corrosion inhibitors is designed to provide systemic evaluation of various physical and chemical properties of surfactants, surfactant behaviors in corrosive environments, and their influence in corrosion inhibition, which can be used to improve the effectiveness with which surfactants are used as corrosion inhibitors in a variety of environments. Progress in the development of various predictive models, including semi-empirical models, mechanistic models, and multiphysics models, are reviewed for the evaluation and prediction of surfactant properties and surfactant corrosion inhibition efficiency. Applications of these models to experimental design and analysis, surfactant design and selection, and lifetime prediction are also discussed.

    更新日期:2017-07-29
  • Physicomechanical properties of spark plasma sintered carbon nanotube-reinforced metal matrix nanocomposites
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-07-25
    Abolfazl Azarniya, Amir Azarniya, Saeed Sovizi, Hamid Reza Madaah Hosseini, Temel Varol, Akira Kawasaki, Seeram Ramakrishna

    The technological and industrial needs for development of fully dense nanocomposites have led to significant advances in spark plasma sintering (SPS) technique and its enhanced forms. This technique has opened up a new prospect over carbon nanotube (CNT)-metal matrix nanocomposites (MMNCs) with superior physical or mechanical characteristics. To date, a large number of authentic papers have been published over this ongoing field, but have not been comprehensively reviewed. The pertinent research works cover some significant aspects of CNT-MMNCs requiring a concise review on (i) the potential phase transformations of pure CNTs and microstructure evolution; (ii) the novel approaches for uniform dispersion of CNTs inside the metallic matrices including Cu, Al, Ag, Ni, Ti, Mg, and Fe; and (iii) recent improvements in mechanical, thermal, electrical, biological, and tribological properties of CNT-MMNCs. The present review paper strives to scrutinize the aforementioned topics and provide a broad overview of the unsolved challenges and suggested solutions for them.

    更新日期:2017-07-29
  • Recent Advances in Germanium Nanocrystals: Synthesis, Optical Properties and Applications
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-07-22
    Darragh Carolan

    Germanium nanocrystals (Ge NCs) have recently attracted renewed scientific interest as environmentally friendlier alternatives to classical II-VI and IV-VI QDs containing toxic elements such as Hg, Cd and Pb. Importantly, Ge NCs are nontoxic, biocompatible, and electrochemically stable. An essential requirement is the ability to prepare Ge NCs with narrow size distributions and well characterized surface chemistry, as these define many of their photophysical properties. However, a thorough discussion on these criteria has not been achieved to date. Here, size, surface control, and mechanisms for light emission in Ge NCs are discussed and their exciting recent applications are highlighted. The beneficial properties of Ge NCs suggest that this material can improve the performance of numerous devices like solar cells, photodetectors, and lithium ion batteries.

    更新日期:2017-07-29
  • Three-dimensional graphene-based macrostructures for sustainable energy applications and climate change mitigation
    Prog. Mater. Sci. (IF 31.14) Pub Date : 2017-07-13
    Shamik Chowdhury, Rajasekhar Balasubramanian

    The importance of three-dimensional (3D) graphene-based macrostructures (GBMs) is increasingly being recognized over the last five years for diverse clean energy-related applications and global climate change mitigation. With exceptionally large specific surface area and highly interconnected pore networks, 3D graphene scaffolds manifest extraordinary nanoscale effects that result in materials with unusual electrical, mechanical, and electrochemical properties. A global multidisciplinary research effort focusing on the development of innovative 3D GBMs with hierarchical microstructures and novel functionalities has therefore recently emerged. This review provides a comprehensive account of the key design principles in preparing high performance 3D GBMs and discusses their application as advanced electrode materials in a range of energy storage and conversion devices, including lithium-ion batteries, supercapacitors, fuel cells, dye-sensitized solar cells, and photoelectrochemical water splitting devices. In addition, the review provides insights into newer and emerging sustainable energy applications of 3D GBMs, such as adsorbents for high-density hydrogen storage and selective capture of CO2 from flue gases, as well as catalysts for photoconversion of CO2 into clean fuels and value-added chemicals. The current state of knowledge is highlighted for each of the applications, followed by a discussion of our own perspectives on each topic. Finally, the future outlook on practical deployment of 3D GBMs is suggested as concluding remarks.

    更新日期:2017-07-29
Some contents have been Reproduced with permission of the American Chemical Society.
Some contents have been Reproduced by permission of The Royal Society of Chemistry.
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