Growth of ultrahigh density single-walled carbon nanotube forests by improved catalyst design.

We have grown vertically aligned single-walled carbon nanotube forests with an area density of 1.5 × 10(13) cm(-2), the highest yet achieved, by reducing the average diameter of the nanotubes. We use a nanolaminate Fe-Al(2)O(3) catalyst design consisting of three layers of Al(2)O(3), Fe, and Al(2)O(3), in which the lower Al(2)O(3) layer is densified by an oxygen plasma treatment to increase its diffusion barrier properties, to allow a thinner catalyst layer to be used. This high nanotube density is desirable for using carbon nanotubes as interconnects in integrated circuits.

Copolymerization of CO2 and propylene oxide under rare earth ternary catalyst: design of ligand in yttrium complex

Copolymerization of carbon dioxide and propylene oxide was carried out employing (RC6H4COO)(3)Y/glycerin/ZnEt2 (R = -H, -CH3, NO2, -OH) ternary catalyst systems. The feature of yttrium carboxylates (ligand, substituent and its position on the aromatic ring) is of great importance in the final copolymerization. Appropriate design of substituent and position of the ligand in benzoate-based yttrium complex can adjust the microstructure of aliphatic polycarbonate in a moderate degree, where the head-to-tail linkage in the copolymer is adjustable from 68.4 to 75.4%. The steric factor of the ligand in the yttrium complex is crucial for the molecular weight distribution of the copolymer, probably due to the fact that the substituent at 2 and 4-position would disturb the coordination or insertion of the monomer, lead the copolymer with broad molecular distribution. Based on the study of ultraviolet-visible spectra of the ternary catalyst in various solvents, it seems that the absorption band at 240-255 nm be closely related to the active species of the rare earth ternary catalysts.

Towards rational catalyst design: a general optimization framework

Rational catalyst design is one of the most fundamental goals in heterogeneous catalysis. Herein, we briefly review our previous design work, and then introduce a general optimization framework, which converts catalyst design into an optimization problem. Furthermore, an example is given using the gradient ascent method to show how this framework can be used for rational catalyst design. This framework may be applied to other design schemes.

Catalyst design for biorefining

The quest for sustainable resources to meet the demands of a rapidly rising global population while mitigating the risks of rising CO2 emissions and associated climate change, represents a grand challenge for humanity. Biomass offers the most readily implemented and low-cost solution for sustainable transportation fuels, and the only non-petroleum route to organic molecules for the manufacture of bulk, fine and speciality chemicals and polymers. To be considered truly sustainable, biomass must be derived fromresources which do not compete with agricultural land use for food production, or compromise the environment (e.g. via deforestation). Potential feedstocks include waste lignocellulosic or oil-based materials derived from plant or aquatic sources, with the so-called biorefinery concept offering the co-production of biofuels, platform chemicals and energy; analogous to today's petroleum refineries which deliver both high-volume/low-value (e.g. fuels and commodity chemicals) and lowvolume/ high-value (e.g. fine/speciality chemicals) products, thereby maximizing biomass valorization. This article addresses the challenges to catalytic biomass processing and highlights recent successes in the rational design of heterogeneous catalysts facilitated by advances in nanotechnology and the synthesis of templated porous materials, as well as the use of tailored catalyst surfaces to generate bifunctional solid acid/base materials or tune hydrophobicity.

Educating the ‘Design Innovation Catalyst’ for change

Conventionally, design has played a compartmental role in the innovation process within most conservative companies around the world. Generally, companies have focused on the product design execution or the manufacturing and production arenas, and in some instances design is seen as merely a stylistic afterthought. Gradually, design is being regarded as a dynamic and central tactical business resource and consequently organisations globally look to design to help them innovate, differentiate and compete in a changing economic climate. Considering this, the question is raised; how can the specific knowledge and skills of designers be better articulated, understood, implemented and valued as a core component of strategic innovation in businesses? In seeking to answer this question, this paper proposes the new frontier of the design profession coined the ‘Design Innovation Catalyst’. This paper outlines the role of the new design professional and discusses the subsequent implications for design education. Furthermore, questions surrounding how designers will develop these new capabilities and how the design led innovation framework in application can contribute to the future of design will also be presented. It is anticipated that the findings from this research will help to better equip designers to enable them to play a more central role in business and strategic innovation now and in the future.

Design innovation catalyst tools to facilitate organisational change

Organisations have recently looked to design to become more customer oriented and co-create a new kind of value and service offering. This requires changes in the organisation mindset, involving the entire company, innovation processes and often its business model. One tool that has been successful in facilitating this has been Osterwalder and Pigneur (2010) ‘Business Model Canvas’ and more importantly the design process that supports the use of this tool. The aim of this paper is to explore the role design tools play in the translation and facilitation process of innovation in firms. Six ‘Design Innovation Catalysts’ (Wrigley, 2013) were interviewed in regards to their approach and use of design tools in order to better facilitate innovation. Results highlight the value of tools expands beyond their intended use to include; facilitation of communicating, permission to think creatively, and learning and teaching through visualisation. Findings from this research build upon the role of the Design Innovation Catalyst and provide additional implications for organisations.

Shifting from production to purpose : facilitating design-led change in a small family-owned enterprise

This research was embedded as a Design-led Innovation catalyst within a family-owned small business, to explore the application of a design program to achieve organizational change. Based on the findings two new models for increasing design integration within an organisation were proposed, establishing a range of pre-requisites needed for a firm to progress. Struggling firms may leverage their use of design and strategy by embedding a catalyst in a new cross-disciplinary role providing the necessary internal assistance. The study demonstrated that even non-design or strategy-inclined family-owned SMEs could benefit from embarking on a design-led journey to boost their competitive preparedness.

Electrochemical design of ultrathin platinum-coated gold nanoparticle monolayer films as a novel nanostructured electrocatalyst for oxygen reduction

The deliberate tailoring of nanostructured metallic catalysts at the monolayer-level is an ongoing challenge and could lead to new electronic and catalytic properties, since surface-catalyzed reactions are extremely sensitive to the atomic-level details of the catalytic surface. In this article, we present a novel electrochemical strategy to nanoparticle-based catalyst design using the recently developed underpotential deposition (UPD) redox replacement technique. A single UPD Cu replacement with Pt2+ yielded a uniform Pt layer on colloid gold surfaces. The ultrathin (nominally monolayer-level) Pt coating of the novel nanostructured particles was confirmed by cyclic voltammetry and X-ray photoelectron spectra (XPS). The present results demonstrate that ultrathin Pt coating effects efficiently and behaves as the nanostructured monometallic Pt for electrocatalytic oxygen reduction, and also shows size-dependent, tunable electrocatalytic ability. The as-prepared ultrathin Pt-coated Au nanoparticle monolayer electrodes reduce O-2 predominantly by four electrons to H2O, as confirmed by the rotating ring-disk electrode (RRDE) technique.

Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis

The fundamental understanding of the activity in heterogeneous catalysis has long been the major subject in chemistry. This paper shows the development of a two-step model to understand this activity. Using the theory of chemical potential kinetics with Bronsted-Evans-Polanyi relations, the general adsorption energy window is determined from volcano curves, using which the best catalysts can be searched. Significant insights into the reasons for catalytic activity are obtained.

Some Attempts in the Rational Design of Heterogeneous Catalysts Using Density Functional Theory Calculations

Heterogeneous catalysis is of great importance both industrially and academically. Rational design of heterogeneous catalysts is highly desirable, and the computational screening and design method is one of the most promising approaches for rational design of heterogeneous catalysts. Herein, we review some attempts towards the rational catalyst design using density functional theory from our group. Some general relationships and theories on the activity and selectivity are covered, such as the Brønsted–Evans–Polanyi relation, volcano curves/surfaces, chemical potentials, optimal adsorption energy window and energy descriptor of selectivity. Furthermore, the relations of these relationships and theories to the rational design are discussed, and some examples of computational screening and design method are given.

A review of advanced catalyst development for Fischer-Tropsch synthesis of hydrocarbons from biomass derived syn-gas

Fischer-Tropsch synthesis (FTS) is a process which converts syn-gas (H2 and CO) to synthetic liquid fuels and valuable chemicals. Thermal gasification of biomass represents a convenient route to produce syn-gas from intractable materials particularly those derived from waste that are not cost effective to process for use in biocatalytic or other milder catalytic processes. The development of novel catalysts with high activity and selectivity is desirable as it leads to improved quality and value of FTS products. This review paper summarises recent developments in FT-catalyst design with regards to optimising catalyst activity and selectivity towards synthetic fuels. © 2014 the Partner Organisations.

Catalyst screening: Refinement of the origin of the volcano curve and its implication in heterogeneous catalysis

Understanding the overall catalytic activity trend for rational catalyst design is one of the core goals in heterogeneous catalysis. In the past two decades, the development of density functional theory (DFT) and surface kinetics make it feasible to theoretically evaluate and predict the catalytic activity variation of catalysts within a descriptor-based framework. Thereinto, the concept of the volcano curve, which reveals the general activity trend, usually constitutes the basic foundation of catalyst screening. However, although it is a widely accepted concept in heterogeneous catalysis, its origin lacks a clear physical picture and definite interpretation. Herein, starting with a brief review of the development of the catalyst screening framework, we use a two-step kinetic model to refine and clarify the origin of the volcano curve with a full analytical analysis by integrating the surface kinetics and the results of first-principles calculations. It is mathematically demonstrated that the volcano curve is an essential property in catalysis, which results from the self-poisoning effect accompanying the catalytic adsorption process. Specifically, when adsorption is strong, it is the rapid decrease of surface free sites rather than the augmentation of energy barriers that inhibits the overall reaction rate and results in the volcano curve. Some interesting points and implications in assisting catalyst screening are also discussed based on the kinetic derivation. Moreover, recent applications of the volcano curve for catalyst design in two important photoelectrocatalytic processes (the hydrogen evolution reaction and dye-sensitized solar cells) are also briefly discussed.

Growth of ultrahigh density vertically aligned carbon nanotube forests for interconnects.

We present a general catalyst design to synthesize ultrahigh density, aligned forests of carbon nanotubes by cyclic deposition and annealing of catalyst thin films. This leads to nanotube forests with an area density of at least 10(13) cm(-2), over 1 order of magnitude higher than existing values, and close to the limit of a fully dense forest. The technique consists of cycles of ultrathin metal film deposition, annealing, and immobilization. These ultradense forests are needed to use carbon nanotubes as vias and interconnects in integrated circuits and thermal interface materials. Further density increase to 10(14) cm(-2) by reducing nanotube diameter is possible, and it is also applicable to nanowires.