bluuebunny/crossref_metadata_2025 huggingface dataset:
Crystalline Silicon Thin Film and Nanowire Solar Cells
Authors: Reehal Hari S. , Ball Jeremy
Published: November 2014

This chapter reviews recent developments in the field of large grain size crystalline silicon thin film and silicon nanowire solar cells. Both technologies offer considerable potential for photovoltaics if they can be realised with adequate material quality on cheap substrates such as glass. The main methods for forming thin polycrystalline silicon (poly-Si) films on glass are described. These include thermal solid phase crystallisation, liquid phase crystallisation and epitaxial thickening of crystalline seed layers. The corresponding progress made in device technology is outlined. Some recent work on poly-Si film and solar cell formation on higher temperature substrates is also discussed, together with progress on thin monocrystalline layers produced by epitaxy or lift-off from Si wafers. Plasmonic enhancement of solar cells has attracted considerable interest in recent years. An account is given of developments relating to thin crystalline Si solar cells. Finally, the progress made in the fabrication of Si nanowires and microwires, and their deployment in photovoltaic devices is discussed. Both bottom–up and top–down methods of wire formation are considered. Considerable progress has been made in both planar and wire cell technologies, though the latter is at an earlier stage of development and significant research challenges remain for both. However, with further improvements in material quality and light trapping, excellent prospects exist for a cost-effective thin film crystalline Si technology exceeding 15% efficiency. This will offer all the advantages of Si including stability, non-toxicity and high abundance.
New Chalcogenide Materials for Thin Film Solar Cells
Authors: Lane David W. , Hutchings Kyle J. , McCracken Robert , Forbes Ian
Published: November 2014

This chapter describes the search for new inorganic materials for thin film photovoltaic cells. It begins with the quest to bring down the cost of power generation by the move from crystalline silicon to thin film materials such as cadmium telluride (CdTe), copper indium selenide (CIS) and copper indium gallium diselenide (CIGS). The reliance of these materials on scarce and expensive elements, and the search for alternative sustainable materials, is then discussed. However, thoroughly investigating a new material is a protracted process and methods for surveying new compounds using high throughput or combinatorial techniques are presented. These reduce process time by growing a wide range of material compositions in parallel in a single specimen. Methods for thin film growth and analysis are discussed, as are the materials, Cu2ZnSn(S,Se)4 (CZTS), and the sulfosalt systems Cu–Sb–(S,Se), Cu–Bi–S and Sn–Sb–S.
Photon Frequency Management Materials for Efficient Solar Energy Collection
Authors: Danos Lefteris , Meyer Thomas J. J. , Kittidachachan Pattareeya , Fang Liping , Parel Thomas S. , Soleimani Nazila , Markvart Tomas
Published: November 2014

The chapter outlines a range of materials and techniques that can be employed to improve sunlight capture for application in photovoltaics (PV). We review processes such as simple luminescence down-shifting structures, luminescent (or fluorescent) solar collectors and light trapping via a frequency shift which result in an increase of the solar photon flux and significant reduction in PV material requirements. A simple two-flux model is presented within a unified treatment for the collectors and down-shifting structures to estimate re-absorption losses and to determine the collection efficiency based on spectroscopic measurements of the absorption and luminescence spectra. Photon frequency management materials are reviewed which use efficient resonance energy transfer to wavelength shift the incoming solar flux. We show that frequency photon management represents a powerful tool, allowing enhancement in light trapping above the Yablononovitch limit and leading to potentially highly efficient, but employing very thin crystalline silicon, solar cells.
Applications of Dielectrophoresis in Microfluidics
Authors: Lapizco-Encinas Blanca H.
Published: November 2014

Microfluidics has revolutionised the manner in which many assessments are carried out. Miniaturisation offers attractive advantages over traditional bench-scale techniques: only small quantities of samples and reagents are required, higher resolution and sensitivity, improved level of integration, lower cost and much shorter processing times. Electrokinetic (EK) techniques have proved to be efficient and robust platforms able to perform complex manipulation of bioparticles for a wide variety of applications. Dielectrophoresis (DEP) is an increasingly popular EK technique successfully used in many studies, as demonstrated by more than 300 papers published every year since 2008. DEP is an EK transport mechanism caused by polarisation effects when a dielectric particle is exposed to a nonuniform electric field. DEP offers great flexibility and several operation modes. The present chapter presents the basic theory of EK and DEP covering the fundamentals of electrode-based DEP and insulator-based DEP; followed by strategically selected examples of DEP studies in the areas of nanoanalytical, bioanalytical and biomedical applications. It is expected that DEP will continue to grow at a fast pace as one of the leading microfluidics techniques for the analysis of biological samples.
Novel Lab-on-a-Chip Sensing Systems: Applications of Optical, Electrochemical, and Piezoelectric Transduction in Bioanalysis
Authors: Tavares Anthony J. , Doughan Samer , Noor M. Omair , DaCosta Matthew V. , Piunno Paul A. E. , Krull Ulrich J.
Published: November 2014

The integration of novel transduction strategies into lab-on-a-chip (LOC) platforms allows for sensors that are cost effective, field portable, easy to use, and amenable to automation. Alongside the unabated interest in functional nanoparticles (NPs), countless new sensors have been designed for bioanalyses ranging from small molecule toxins to complex biomolecular targets such as proteins and nucleic acids that are markers of pathogens or disease. Furthermore, the unique properties of NPs have provided for new detection modalities that are well suited to miniaturisation. Herein we describe recent developments and application of novel LOC biosensors that operate using optical, electrochemical, and piezoelectric techniques. Focus is given to examples of sensors that incorporate NPs into their detection strategy. A brief theoretical description of the many transduction methods is provided and examples from recent literature are used to highlight the application of each detection method in the field. The chapter concludes with a prospective outlook on future directions for LOC biosensing.
Label-free determination of lipid composition and secondary protein structure of human salivary noncancerous and cancerous tissues by Raman microspectroscopy
Authors: Brozek-Pluska Beata , Kopec Monika , Niedzwiecka Izabela , Morawiec-Sztandera Alina
Published: November 2014

The applications of optical spectroscopic methods in cancer detection open new possibilities in oncological diagnostics.
A native chromatin extraction method based on salicylic acid coated magnetic nanoparticles and characterization of chromatin
Authors: Zhou Zhongwu , Irudayaraj Joseph
Published: November 2014

Native chromatin extraction with salicylic acid coated magnetic particles was achieved.
A durable non-enzymatic electrochemical sensor for monitoring H2O2 in rat brain microdialysates based on one-step fabrication of hydrogels
Authors: Wang Zhen , Zhang Limin , Tian Yang
Published: November 2014

A non-enzymatic electrochemical H2O2 sensor was developed by in situ fabrication of biocompatible chitosan hydrogels, in which a specific recognition molecule for H2O2 – thionine – was stably immobilized via one-step electrodeposition.
A durable solid contact sulfide sensor based on a ceric acrylohydrazide ionophore attached to polyacrylamide with a nanomolar detection limit
Authors: Nooredeen Abbas Mohammad , Radwan Abdel-Latief A. , Nawwar Galal A. , Zine N. , Errachid A.
Published: November 2014

We provide a highly sensitive sulfide solid contact sensor based on a novel ceric complex of an acrylohydrazide derivative covalently attached to PAA.
Electrochemical behavior of a pheochromocytoma cell suspension and the effect of acrylamide on the voltammetric response
Authors: Ji Jian , Jiang Donglei , Sun Jiadi , Qian He , Zhang Yinzhi , Sun Xiulan
Published: November 2014

The electrochemical behavior of electroactive species in a pheochromocytoma cell (PC-12) suspension was studied to establish a simple and rapid measurement method to obtain strong and direct electrochemical responses that objectively reflect cell viability.
Tailor-made design of J- or H-aggregated naphthalenediimide-based gels and remarkable fluorescence turn on/off behaviour depending on solvents
Authors: Basak Shibaji , Nandi Nibedita , Baral Abhishek , Banerjee Arindam
Published: November 2014

Design of a supramolecular chameleon that displays solvent dependent control over H/J-aggregation as well as fluorescence turn on/off behaviour depending on the proper choice of solvents.
Polymer supported ZIF-8 membranes prepared via an interfacial synthesis method
Authors: Li Yanbo , Wee Lik H. , Volodin Alexander , Martens Johan A. , Vankelecom Ivo F. J.
Published: November 2014

Polyethersulfone supported continuous ZIF-8 membranes were prepared via an interfacial synthesis method. These membranes showed excellent performance in the nanofiltration range.
Discotic liquid crystals as novel corrosion-resistant coatings
Authors: Chen Hsiu-Hui , Chang Kung-Chin , Chu Chien-Ming , Hung Hsu-Heng , Hsu Min-Hsiang , Hung Yu-Chun , Wang Chien-Shiang , Yeh Jui-Ming
Published: November 2014

A discotic liquid crystal (DLC), HBC-C12, coating was successfully applied to improve the corrosion resistance of an iron surface.
A stable ZnCo2O4cocatalyst for photocatalytic CO2reduction
Authors: Wang Sibo , Ding Zhengxin , Wang Xinchen
Published: November 2014

Spinel ZnCo2O4nanorods were developed as stable cocatalysts cooperative with a light harvester for CO2photoreduction.
Superconductivity in Sm-doped [n]phenacenes (n = 3, 4, 5)
Authors: Artioli Gianluca A. , Hammerath Franziska , Mozzati Maria Cristina , Carretta Pietro , Corana Federica , Mannucci Barbara , Margadonna Serena , Malavasi Lorenzo
Published: November 2014

We report here the evidence of superconductivity in the full series of Sm-doped [n]phenacenes, with n = 3, 4, 5.
A redox-activated fluorescence switch based on a ferrocene–fluorophore–boronic ester conjugate
Authors: Li Meng , Guo Zhiqian , Zhu Weihong , Marken Frank , James Tony D.
Published: November 2014

A novel electrochemically and fluorescence active boronic ester sensor molecule has been developed containing ferrocene and naphthalimide as the redox and fluorophore units.
P22 virus-like particles constructed Au/CdS plasmonic photocatalytic nanostructures for enhanced photoactivity
Authors: Zhou Ziyou , Bedwell Gregory J. , Li Rui , Bao Ningzhong , Prevelige Peter E. , Gupta Arunava
Published: November 2014

P22 virus-like particles have been employed to fabricate Au/CdS plasmonic photocatalytic nanostructures that exhibit enhanced photodegradation activity.
Increased short circuit current in an azafullerene-based organic solar cell
Authors: Cambarau Werther , Fritze Urs F. , Viterisi Aurélien , Palomares Emilio , von Delius Max
Published: November 2014

We report azafullerene monoadduct DPC59N, which in organic solar cells outperforms benchmark acceptor PC60BM in respect to JSC and EQE.
Ultrasensitive SERS assay of lysozyme using a novel and unique four-way helical junction molecule probe for signal amplification
Authors: Zhang Zhen , Wang Yuanyuan , Zheng Fuwei , Ren Rui , Zhang Shusheng
Published: November 2014

A unique four-way helical junction molecule (FHJM) probe was ingeniously designed, and firstly introduced into DNA signal amplification as a novel Surface-enhanced Raman scattering (SERS) probe.
Direct reductive coupling of secondary amides: chemoselective formation of vicinal diamines and vicinal amino alcohols
Authors: Huang Pei-Qiang , Lang Qi-Wei , Wang Ai-E , Zheng Jian-Feng
Published: November 2014

We report the first direct and chemoselective reductive homocoupling reaction of secondary amides and cross-coupling reaction of secondary amides with ketones. This method relies on the direct generation of α-amino carbon radicals from amides.
Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency
Authors: Warzecha Monika , Calvo-Castro Jesus , Kennedy Alan R. , Macpherson Alisdair N. , Shankland Kenneth , Shankland Norman , McLean Andrew J. , McHugh Callum J.
Published: November 2014

Sensitive optical detection of nitroaromatic vapours with diketopyrrolopyrrole thin films is reported for the first time.
Evolving P450pyr monooxygenase for highly regioselective terminal hydroxylation of n-butanol to 1,4-butanediol
Authors: Yang Yi , Chi Yu Tse , Toh Hui Hung , Li Zhi
Published: November 2014

Directed evolution of a P450pyr created I83M/I82T mutant as the first catalyst for highly regioselective terminal hydroxylation of n-butanol to 1,4-butanediol.
Co intake mediated formation of ultrathin nanosheets of transition metal LDH—an advanced electrocatalyst for oxygen evolution reaction
Authors: Long Xia , Xiao Shuang , Wang Zilong , Zheng Xiaoli , Yang Shihe
Published: November 2014

By controlling the ratio of tri- and bi-valent ions, multi-transition metal based layered double hydroxide (LDH) ultrathin nanosheets are synthesized.
Biologically relevant arene ruthenium metalla-assemblies
Authors: Therrien Bruno
Published: November 2014

Arene ruthenium complexes have become popular building blocks for the preparation of metalla-assemblies with biological applications, opening a new era for arene ruthenium complexes.
Models of charge pair generation in organic solar cells
Authors: Few Sheridan , Frost Jarvist M. , Nelson Jenny
Published: November 2014

A critical perspective on modelling of charge generation in organic photovoltaics, focussing on interfacial electronic states, electrostatics, and dynamic processes.
Mechanical properties and stabilities of α-boron monolayers
Authors: Peng Qing , Han Liang , Wen Xiaodong , Liu Sheng , Chen Zhongfang , Lian Jie , De Suvranu
Published: November 2014

α-Boron monolayers are mechanically stable under various large strains.
Dynamics of the ionic liquid 1-butyl-3-methylimidazolium bis(trifluoromethylsulphonyl)imide studied by nuclear magnetic resonance dispersion and diffusion
Authors: Ordikhani Seyedlar Amin , Stapf Siegfried , Mattea Carlos
Published: November 2014

NMR was used to study the dynamics of the ionic liquid Bmim-Tf2N in the supercooled regime. Rotation and translation molecular dynamics exhibit a transition at Tc∼1.26 Tg.
Efficiency of ruthenium dye sensitized solar cells enhanced by 2,6-bis[1-(phenylimino)ethyl]pyridine as a co-sensitizer containing methyl substituents on its phenyl rings
Authors: Wei Liguo , Na Yong , Yang Yulin , Fan Ruiqing , Wang Ping , Li Liang
Published: November 2014

By applying 2,6-bis(iminoalkyl)pyridine into DSSCs as a co-sensitizer, a power-conversion efficiency of 7.32% was achieved, 35% higher than that of N719 sensitized DSSCs.
Growth of axial nested P–N heterojunction nanowires for high performance diodes
Authors: Chen Nan , Xue Zheng , Yang Hui , Zhang Zhou , Gao Juan , Li Yongjun , Liu Huibiao
Published: November 2014

The axial nested P–N heterojunction nanowires have proved to be better microelectronic devices because of their bigger area of junction.
Effects of repulsive interaction on the electric double layer of an imidazolium-based ionic liquid by molecular dynamics simulation
Authors: Jin Wenyang , Liu Xiaohong , Han Yining , Li Shu , Yan Tianying
Published: November 2014

Effects of repulsion between BMIM+/PF6− and the graphite electrode on electric double layer was studied by molecular dynamics simulation.
Supramolecular polymers constructed by orthogonal self-assembly based on host–guest and metal–ligand interactions
Authors: Wei Peifa , Yan Xuzhou , Huang Feihe
Published: November 2014

This review describes recent progress in the orthogonal construction of supramolecular polymers based on host–guest and metal coordination interactions.
Relationship between the anion/cation relative orientation and the catalytic activity of nitrogen acyclic carbene–gold catalysts
Authors: Biasiolo L. , Ciancaleoni G. , Belpassi L. , Bistoni G. , Macchioni A. , Tarantelli F. , Zuccaccia D.
Published: November 2014

The role of the ligand in determining the ion pair structure of the [(NAC)Au(η2-3-hexyne)]+ BF4− catalysts and how the position of the anion (positions A, B and C) influences their catalytic performance in the intermolecular alkoxylation of alkynes have been studied.
Four tetrazolate-based 3D frameworks with diverse subunits directed by inorganic anions and azido coligand: hydro/solvothermal syntheses, crystal structures, and magnetic properties
Authors: Hou Zhao-Jun , Liu Zhong-Yi , Liu Ning , Yang En-Cui , Zhao Xiao-Jun
Published: November 2014

Four magnetic frameworks with hourglass-shaped {Cu5(μ3-OH)2}8+ cluster, linear {Cu3(μ-Cl)2}4+ core, linear {Cu(μ1,1-N3)}+ chain and trigonal-prismatic {Cu8(μ3-tz)6}10+ motifs were reported.
3,3′-Di(pyrazinamoyl)-2,2′-bipyridine: rational ligand design for the self-assembly of a 1-D coordination polymer
Authors: Hurley Nicholas J. , Rawson Jeremy M. , Pilkington Melanie
Published: November 2014

A new pyrazine functionalized polydentate ligand with distinct binding domains facilitates the self-assembly of a unique paddlewheel bridged 1D coordination polymer of formula {[Cu3(L3)2(Cl)2(OAc)6]·2H2O·2MeOH}nthat has been structurally and magnetically characterized.
Bio-inspired organic cobalt(ii) phosphonates toward water oxidation
Authors: Zhou Tianhua , Wang Danping , Chun-Kiat Goh Simon , Hong Jindui , Han Jianyu , Mao Jianggao , Xu Rong
Published: November 2014

A new layered metal–organic phosphonate crystal with both mono- and di-μ-oxo bridged octahedral cobalt was synthesized and acts as an efficient and stable heterogeneous catalyst for water oxidation.
New in situ solid-state NMR techniques for probing the evolution of crystallization processes: pre-nucleation, nucleation and growth
Authors: Hughes Colan E. , Williams P. Andrew , Keast Victoria L. , Charalampopoulos Vasileios G. , Edwards-Gau Gregory R. , Harris Kenneth D. M.
Published: November 2014

The application ofin situtechniques for investigating crystallization processes promises to yield significant new insights into fundamental aspects of crystallization science. With this motivation, we recently developed a newin situsolid-state NMR technique that exploits the ability of NMR to selectively detect the solid phase in heterogeneous solid–liquid systems (of the type that exist during crystallization from solution), with the liquid phase “invisible” to the measurement. As a consequence, the technique allows the first solid particles produced during crystallization to be observed and identified, and allows the evolution of different solid phases (e.g., polymorphs) present during the crystallization process to be monitored as a function of time. Thisin situsolid-state NMR strategy has been demonstrated to be a powerful approach for establishing the sequence of solid phases produced during crystallization and for the discovery of new polymorphs. The most recent advance of thein situNMR methodology has been the development of a strategy (named “CLASSIC NMR”) that allows both solid-state NMR and liquid-state NMR spectra to be measured (essentially simultaneously) during the crystallization process, yielding information on the complementary changes that occur in both the solid and liquid phases as a function of time. In this article, we present new results that highlight the application of ourin situNMR techniques to successfully unravel different aspects of crystallization processes, focusing on: (i) the application of a CLASSIC NMR approach to monitor competitive inclusion processes in solid urea inclusion compounds, (ii) exploiting liquid-state NMR to gain insights into co-crystal formation between benzoic acid and pentafluorobenzoic acid, and (iii) applications ofin situsolid-state NMR for the discovery of new solid forms of trimethylphosphine oxide andl-phenylalanine. Finally, the article discusses a number of important fundamental issues relating to practical aspects, the interpretation of results and the future scope of these techniques, including: (i) an assessment of the smallest size of solid particle that can be detected inin situsolid-state NMR studies of crystallization, (ii) an appraisal of whether the rapid sample spinning required by the NMR measurement technique may actually influence or perturb the crystallization behaviour, and (iii) a discussion of factors that influence the sensitivity and time-resolution ofin situsolid-state NMR experiments.
Isolation and identification of ingredients inducing cancer cell death from the seeds of Alpinia galanga, a Chinese spice
Authors: Zeng Qiao-hui , Lu Chuan-Li , Zhang Xue-wu , Jiang Jian-Guo
Published: November 2014

This study was carried out to isolate ingredients from the seeds of a Chinese spice (Alpinia galangal) and to evaluate their cytotoxic activity on cancer cell lines.
Determination of the binding sites and binding constants between Pb(ii) and DNA using capillary electrophoresis combined with electrothermal atomic absorption spectrometry
Authors: Liang Yuying , Deng Biyang , Shen Caiying , Qin Xiangdong , Liang Shaojun
Published: November 2014

A new method for studying the interaction between lead(ii) and DNA was developed using capillary electrophoresis electrothermal atomic absorption spectrometry.
M2+ and Ln3+-catalyzed synthesis of a [1,2,4]triazine core via intramolecular C–H/N–H functionalization and C–N bond formation (M = Mn, Zn, Cd; Ln = Dy, Tb)
Authors: Chen Wen-Bin , Li Zhi-Xin , Yu Xin-Wei , Yang Meng , Qiu Yan-Xuan , Dong Wen
Published: November 2014

A novel approach for the direct construction of a 1,2,4-triazine core via metal catalyzed intramolecular C–H/N–H functionalization has been developed.
Reactivity of aldehydes at the air–water interface. Insights from molecular dynamics simulations and ab initio calculations
Authors: Martins-Costa Marilia T. C. , García-Prieto Francisco F. , Ruiz-López Manuel F.
Published: November 2014

Computer simulations show that solvation effects at the air–water interface significantly influence the chemistry of aldehydes, enhancing for instance the benzaldehyde photolysis rate constant by one order of magnitude.
Cu-catalyzed arylation of the amino group in the indazole ring: regioselective synthesis of pyrazolo-carbazoles
Authors: Anil Kumar K. , Kannaboina Prakash , Dhaked Devendra K. , Vishwakarma Ram A. , Bharatam Prasad V. , Das Parthasarathi
Published: November 2014

Arylated aminoindazoles were synthesized by copper-catalyzed C–N bond cross-coupling with boronic acids. These were then transformed to pyrazolo-carbazoles by Pd-catalyzed regioselective cross-dehydrogenative coupling.
Development of an efficient route to CF3-substituted pyrrolopyrimidines through understanding the competition between Michael and aza-Henry reactions
Authors: Tkachuk V. M. , Sukach V. A. , Kovalchuk K. V. , Vovk M. V. , Nenajdenko V. G.
Published: November 2014

A simple control of temperature and time in the nitromethane addition to 4-trifluoromethylated pyrimidin-2-ones allowed regioselective synthesis of isomeric products.
Divergolide congeners illuminate alternative reaction channels for ansamycin diversification
Authors: Ding Ling , Franke Jakob , Hertweck Christian
Published: November 2014

Isolation and structure elucidation of six new divergolides reveal unusual ansamycin diversification reactions including formation of the unusual isobutenyl side chain from a branched polyketide synthase extender unit, azepinone ring closure, macrolide ring contraction and formation of a seco variant by a neighboring group-assisted decarboxylation.
Probing the target-specific inhibition of sensitized protein tyrosine phosphatases with biarsenical probes
Authors: Pomorski Adam , Adamczyk Justyna , Bishop Anthony C. , Krężel Artur
Published: November 2014

A library of biarsenical probes was developed, characterized and used to probe structure–activity relationships for inhibition of sensitized protein tyrosine phosphatases (PTPs), revealing the superior inhibitory properties of 2′,7′-substituted biarsenicals.
Regioselective synthesis, antimicrobial evaluation and theoretical studies of 2-styryl quinolines
Authors: Kamal Ahmed , Rahim Abdul , Riyaz Sd , Poornachandra Y. , Balakrishna Moku , Kumar C. Ganesh , Hussaini Syed Mohammed Ali , Sridhar B. , Machiraju Pavan Kumar
Published: November 2014

2-Styryl quinolines have been synthesized regioselectively from 2-methyl-quinoline using NaOAc in water acetic acid binary solvents and evaluated for their antibacterial activity against both Gram-positive and Gram-negative strains.
Titin-mimicking polycyclic polymers with shape regeneration and healing properties
Authors: Schuetz Jan-Hendrik , Wentao Peng , Vana Philipp
Published: November 2014

Polycyclic polymers made from cyclic (ABC)n-multiblock-copolymers that may undergo self-complementary hydrogen bonds within the individual rings show extraordinary material properties.
Effect of electrolyte concentration on uranium species adsorption: a molecular dynamics study
Authors: Zhang Na , Liu Xiaoyu , Li Chun , Liu Chunli
Published: November 2014

A threshold electrolyte concentration may cause a dramatic alteration in the uranyl species adsorption relative to lower electrolyte concentrations.
Micropatterned model membrane with quantitatively controlled separation of lipid phases
Authors: Okada Fumiko , Morigaki Kenichi
Published: November 2014

A patterned model membrane of lipid rafts was generated by quantitatively controlling the separation of liquid-ordered and liquid-disordered bilayer domains.
Oxygen reduction on nanocrystalline ruthenia – local structure effects
Authors: Abbott Daniel F. , Mukerjee Sanjeev , Petrykin Valery , Bastl Zdeněk , Halck Niels Bendtsen , Rossmeisl Jan , Krtil Petr
Published: November 2014

Nanocrystalline ruthenium dioxide and doped ruthenia of the composition Ru1−xMxO2(M = Co, Ni, Zn) with 0 ≤x≤ 0.2 were prepared by the spray-freezing freeze-drying technique.
Giant enhancement of inverted polymer solar cells efficiency by manipulating dual interlayers with integrated approaches
Authors: Hsieh Hsing-Hua , Sung Yun-Ming , Hsu Fang-Chi , Hsiao Kuo-Jui , Lee Ya-Ju , Chen Yang-Fang
Published: November 2014

Interlayer properties play an important role in governing the charge collection efficiency of polymer solar cells.
One-dimensional Bi2O3 QD-decorated BiVO4 nanofibers: electrospinning synthesis, phase separation mechanism and enhanced photocatalytic performance
Authors: Lv Chade , Chen Gang , Sun Jingxue , Yan Chunshuang , Dong Hongjun , Li Chunmei
Published: November 2014

In this work, we design and successfully fabricate novel Bi2O3 quantum dot (QD)-decorated BiVO4 nanofibers by electrospinning. Furthermore, it exhibits enhanced photocatalytic activities by promoting the separation of photoinduced electrons and holes.
Synthesis of indoles via dehydrogenative N-heterocyclization by supported platinum catalysts
Authors: Moromi Sondomoyee Konika , Touchy Abeda Sultana , Hakim Siddiki S. M. A. , Ali Md. Ayub , Shimizu Ken-ichi
Published: November 2014

Heterogeneous Pt catalysts (Pt/Nb2O5 and Pt/HBEA) show higher turnover number (TON) than previously reported catalysts for the synthesis of indole via acceptorless dehydrogenative cyclization of 2-(2-aminophenyl)ethanol.
Au@In2O3 core–shell composites: a metal–semiconductor heterostructure for gas sensing applications
Authors: Li Xiaowei , Liu Jiangyang , Guo Hang , Zhou Xin , Wang Chen , Sun Peng , Hu Xiaolong , Lu Geyu
Published: November 2014

Hybrid Au@In2O3 microstructures with a distinctive core–shell configuration exhibited potential applications in gas sensing.
Influence of piezoelectric effect on dissolving behavior and stability of ZnO micro/nanowires in solution
Authors: Zhang Kui , Qi Junjie , Tian Yuan , Lu Shengnan , Liang Qijie , Zhang Yue
Published: November 2014

We demonstrate for the first time the corrosion behavior of ZnO micro/nanowires under stress, investigating the influence of the piezoelectric effect on the corrosion of ZnO micro/nanowires in acidic and alkaline environments.
Ionic liquid mediated synthesis of nitrogen, carbon and fluorine-codoped rutile TiO2nanorods for improved UV and visible light photocatalysis
Authors: Ramanathan Rajesh , Bansal Vipul
Published: November 2014

The application of [BMIM][BF4] ionic liquid as a designer solvent for the synthesis of multiple nonmetals-codoped rutile titania nanorods is presented. These nanorods show remarkable photoactivity under UV and visble light conditions.
The boron–boron triple bond? A thermodynamic and force field based interpretation of the N-heterocyclic carbene (NHC) stabilization procedure
Authors: Köppe R. , Schnöckel H.
Published: November 2014

From thermodynamic and force constant discussion a new description of bonding of B2(NHC)2 (NHC = N-heterocyclic carbene C3N2H2(C6H3Pri2-2,6)2) as NHCBBNHC rather than NHC→BB←NHC is given.
A dual catalytic strategy for carbon–phosphorus cross-coupling via gold and photoredox catalysis
Authors: He Ying , Wu Hongmiao , Toste F. Dean
Published: November 2014

A new method for the P-arylation of aryldiazonium salts with H-phosphonates via dual gold and photoredox catalysis is described.
Expression of concern: Homonuclear bond activation using a stable N,N′-diamidocarbene
Authors: Eagling Robert
Published: November 2014

Expression of concern for ‘Homonuclear bond activation using a stable N,N′-diamidocarbene’ by Kelly M. Wiggins, Jonathan P. Moerdyk and Christopher W. Bielawski, Chem. Sci., 2012, 3, 2986–2992.
Influence of imidazolium based green solvents on volume phase transition temperature of crosslinked poly(N-isopropylacrylamide-co-acrylic acid) hydrogel
Authors: Chang Chi-Jung , Reddy P. Madhusudhana , Hsieh Shih-Rong , Huang Hsin-Chun
Published: November 2014

Ionic liquids, known as green solvents, can be used effectively to obtain the desired phase transition temperature for a given stimuli responsive polymeric material.
Colloidal transport and diffusion over a tilted periodic potential: dynamics of individual particles
Authors: Ma Xiao-guang , Lai Pik-Yin , Ackerson Bruce J. , Tong Penger
Published: November 2014

A tilted two-layer colloidal system is constructed for the study of force-assisted barrier-crossing dynamics over a periodic potential. The periodic potential is provided by the bottom layer colloidal spheres forming a fixed crystalline pattern on a glass substrate.
A novel approach to functionalise pristine unsized carbon fibre using in situ generated diazonium species to enhance interfacial shear strength
Authors: Servinis L. , Henderson L. C. , Andrighetto L. M. , Huson M. G. , Gengenbach T. R. , Fox Bronwyn L.
Published: November 2014

Anin situdiazonium grafting methodology was used to decorate the surface of carbon fibres with pendant amines. This methodology was shown to greatly affect IFSS in single fibre composites.
Preparation of a porous nanostructured germanium from GeO2via a “reduction–alloying–dealloying” approach
Authors: Yin Huayi , Xiao Wei , Mao Xuhui , Zhu Hua , Wang Dihua
Published: November 2014

Electrochemical reduction-cum-alloying in molten salt and subsequent water-etching dealloying for the controllable, affordable and environmentally friendly preparation of nanoporous germanium.
A bottom-up synthesis of α-Fe2O3 nanoaggregates and their composites with graphene as high performance anodes in lithium-ion batteries
Authors: Li Xueying , Ma Yuanyuan , Qin Lei , Zhang Zhiyun , Zhang Zhong , Zheng Yan-Zhen , Qu Yongquan
Published: November 2014

The composites of graphene and α-Fe2O3 nanoaggregates as the anode of lithium ion battery exhibit stable cyclability and a high specific capacity of 1787.27 mA h g−1 at 0.1 A g−1.
From a polyoxotitanium cage to TiO2/C composites, a novel strategy for nanoporous materials
Authors: Liu Junlei , Cai Zhiwei , Lv Yaokang , Zhang Yujian , Su Chang , Ouyang Mi , Zhang Cheng , Wright Dominic S.
Published: November 2014

A novel strategy to obtain nanoporous titania materials through polyoxotitanium has been developed. Investigation of the electrochemical behaviors of mesoporous composite A and hierarchical nanoporous composite B showed that the latter can be an attractive supercapacitor material.
From cotton to wearable pressure sensor
Authors: Li Yuanqing , Samad Yarjan Abdul , Liao Kin
Published: November 2014

Based on raw cotton, a simple yet highly sensitive pressure sensor was developed.
Hollow carbon spheres with encapsulated germanium as an anode material for lithium ion batteries
Authors: Li Dan , Feng Chuanqi , Liu Hua kun , Guo Zaiping
Published: November 2014

A novel composite consisting of hollow carbon spheres with encapsulated germanium (Ge@HCS) was synthesized by introducing a germanium precursor into the porous-structured hollow carbon spheres.
Potential of metal-free “graphene alloy” as electrocatalysts for oxygen reduction reaction
Authors: Geng Dongsheng , Ding Ning , Andy Hor T. S. , Liu Zhaolin , Sun Xueliang , Zong Yun
Published: November 2014

A comprehensive review on the active sites of doped graphene and the mechanism of their oxygen reduction reaction (ORR) with a summary of the feasible approaches for further improvement of their ORR activities.
A ratiometric fluorescent probe for in vivo tracking of alkaline phosphatase level variation resulting from drug-induced organ damage
Authors: Hou Xianfeng , Yu Qingxiang , Zeng Fang , Ye Junhui , Wu Shuizhu
Published: November 2014

The ratiometric fluorescent probe discussed herein can detect ALP levels in clinical serum samples, and spatially map endogenous ALP level variations, which occur as a result of drug induced organ damage.
Tuning the field emission properties of AlN nanocones by doping
Authors: Wu Qiang , Liu Ning , Zhang Yongliang , Qian Weijin , Wang Xizhang , Hu Zheng
Published: November 2014

Patterned arrays of Si- or Mg-doped AlN nanocones were synthesized, and the field emission properties of the AlN nanocones were enhanced with Si-doping whereas they deteriorated with Mg-doping.
Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning
Authors: Saccone Marco , Dichiarante Valentina , Forni Alessandra , Goulet-Hanssens Alexis , Cavallo Gabriella , Vapaavuori Jaana , Terraneo Giancarlo , Barrett Christopher J. , Resnati Giuseppe , Metrangolo Pierangelo , Priimagi Arri
Published: November 2014

Halogen bonding is an interaction of choice in supramolecular polymers for efficient light-induced surface patterning.
Biomimetic non-iridescent structural color materials from polydopamine black particles that mimic melanin granules
Authors: Kohri Michinari , Nannichi Yuri , Taniguchi Tatsuo , Kishikawa Keiki
Published: November 2014

A novel approach for creating non-iridescent bright structural color materials from polydopamine (PDA) black particles that mimic melanin granules found in nature is presented.
Improved transparency switching in paraffin–PDMS composites
Authors: Apostoleris H. N. , Chiesa M. , Stefancich M.
Published: November 2014

We present a paraffin–silicone composite with improved opaque–transparent switching. We discuss the potential use of the material as a thermally activate transparent–reflective switch and present a theoretical model of its behavior based on light scattering theory. Means of improving the switching performance are proposed.
Inositol pyrophosphates regulate RNA polymerase I-mediated rRNA transcription in Saccharomyces cerevisiae
Authors: Thota Swarna Gowri , Unnikannan C. P. , Thampatty Sitalakshmi R. , Manorama R. , Bhandari Rashna
Published: November 2014

Ribosome biogenesis is an essential cellular process regulated by the metabolic state of a cell. We examined whether inositol pyrophosphates, energy-rich derivatives of inositol that act as metabolic messengers, play a role in ribosome synthesis in the budding yeast, Saccharomyces cerevisiae. Yeast strains lacking the inositol hexakisphosphate (IP6) kinase Kcs1, which is required for the synthesis of inositol pyrophosphates, display increased sensitivity to translation inhibitors and decreased protein synthesis. These phenotypes are reversed on expression of enzymatically active Kcs1, but not on expression of the inactive form. The kcs1Δ yeast cells exhibit reduced levels of ribosome subunits, suggesting that they are defective in ribosome biogenesis. The rate of rRNA synthesis, the first step of ribosome biogenesis, is decreased in kcs1Δ yeast strains, suggesting that RNA polymerase I (Pol I) activity may be reduced in these cells. We determined that the Pol I subunits, A190, A43 and A34.5, can accept a β-phosphate moiety from inositol pyrophosphates to undergo serine pyrophosphorylation. Although there is impaired rRNA synthesis in kcs1Δ yeast cells, we did not find any defect in recruitment of Pol I on rDNA, but observed that the rate of transcription elongation was compromised. Taken together, our findings highlight inositol pyrophosphates as novel regulators of rRNA transcription.
A dynamical systems analysis of the data assimilation linked ecosystem carbon (DALEC) models
Authors: Chuter Anna M. , Aston Philip J. , Skeldon Anne C. , Roulstone Ian
Published: November 2014

Changes in our climate and environment make it ever more important to understand the processes involved in Earth systems, such as the carbon cycle. There are many models that attempt to describe and predict the behaviour of carbon stocks and stores but, despite their complexity, significant uncertainties remain. We consider the qualitative behaviour of one of the simplest carbon cycle models, the Data Assimilation Linked Ecosystem Carbon (DALEC) model, which is a simple vegetation model of processes involved in the carbon cycle of forests, and consider in detail the dynamical structure of the model. Our analysis shows that the dynamics of both evergreen and deciduous forests in DALEC are dependent on a few key parameters and it is possible to find a limit point where there is stable sustainable behaviour on one side but unsustainable conditions on the other side. The fact that typical parameter values reside close to this limit point highlights the difficulty of predicting even the correct trend without sufficient data and has implications for the use of data assimilation methods.
The energy landscape of glassy dynamics on the amorphous hafnium diboride surface
Authors: Nguyen Duc , Mallek Justin , Cloud Andrew N. , Abelson John R. , Girolami Gregory S. , Lyding Joseph , Gruebele Martin
Published: November 2014

Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB2 glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB2 has a very high bulk glass transition temperature Tg, and we observe no three-state hopping or sequential two-state hopping previously seen on lower Tg glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses.
Towards improved local hybrid functionals by calibration of exchange-energy densities
Authors: Arbuznikov Alexei V. , Kaupp Martin
Published: November 2014

A new approach for the calibration of (semi-)local and exact exchange-energy densities in the context of local hybrid functionals is reported. The calibration functions are derived from only the electron density and its spatial derivatives, avoiding spatial derivatives of the exact-exchange energy density or other computationally unfavorable contributions. The calibration functions fulfill the seven more important out of nine known exact constraints. It is shown that calibration improves substantially the definition of a non-dynamical correlation energy term for generalized gradient approximation (GGA)-based local hybrids. Moreover, gauge artifacts in the potential-energy curves of noble-gas dimers may be corrected by calibration. The developed calibration functions are then evaluated for a large range of energy-related properties (atomization energies, reaction barriers, ionization potentials, electron affinities, and total atomic energies) of three sets of local hybrids, using a simple one-parameter local-mixing. The functionals are based on (a) local spin-density approximation (LSDA) or (b) Perdew-Burke-Ernzerhof (PBE) exchange and correlation, and on (c) Becke-88 (B88) exchange and Lee-Yang-Parr (LYP) correlation. While the uncalibrated GGA-based functionals usually provide very poor thermochemical data, calibration allows a dramatic improvement, accompanied by only a small deterioration of reaction barriers. In particular, an optimized BLYP-based local-hybrid functional has been found that is a substantial improvement over the underlying global hybrids, as well as over previously reported LSDA-based local hybrids. It is expected that the present calibration approach will pave the way towards new generations of more accurate hyper-GGA functionals based on a local mixing of exchange-energy densities.
Influence of myelin proteins on the structure and dynamics of a model membrane with emphasis on the low temperature regime
Authors: Knoll W. , Peters J. , Kursula P. , Gerelli Y. , Natali F.
Published: November 2014

Myelin is an insulating, multi-lamellar membrane structure wrapped around selected nerve axons. Increasing the speed of nerve impulses, it is crucial for the proper functioning of the vertebrate nervous system. Human neurodegenerative diseases, such as multiple sclerosis, are linked to damage to the myelin sheath through demyelination. Myelin exhibits a well defined subset of myelin-specific proteins, whose influence on membrane dynamics, i.e., myelin flexibility and stability, has not yet been explored in detail. In a first paper [W. Knoll, J. Peters, P. Kursula, Y. Gerelli, J. Ollivier, B. Demé, M. Telling, E. Kemner, and F. Natali, Soft Matter 10, 519 (2014)] we were able to spotlight, through neutron scattering experiments, the role of peripheral nervous system myelin proteins on membrane stability at room temperature. In particular, the myelin basic protein and peripheral myelin protein 2 were found to synergistically influence the membrane structure while keeping almost unchanged the membrane mobility. Further insight is provided by this work, in which we particularly address the investigation of the membrane flexibility in the low temperature regime. We evidence a different behavior suggesting that the proton dynamics is reduced by the addition of the myelin basic protein accompanied by negligible membrane structural changes. Moreover, we address the importance of correct sample preparation and characterization for the success of the experiment and for the reliability of the obtained results.
Long-wave Marangoni convection in a layer of surfactant solution
Authors: Morozov M. , Oron A. , Nepomnyashchy A. A.
Published: November 2014

We consider the deformational mode of Marangoni instability in a heated layer of a surfactant solution with the Soret effect and the adsorption/desorption of surfactant molecules accounted for by using a linearized model of sorption kinetics. Linear stability analysis of the layer's quiescent base state reveals a competition between monotonic and oscillatory modes of the long-wave instability, as well as a strong stabilization due to surfactant adsorption. Based on these results, we carry out the derivation of a set of long-wave nonlinear evolution equations governing the spatiotemporal dynamics of the oscillatory mode of instability. Using a weakly nonlinear analysis of the evolution equations, we study pattern selection in the case of a 2D flow near the stability threshold of the system. We validate our theoretical predictions by a numerical solution of the evolution equations.
Conical intersections and diabatic potential energy surfaces for the three lowest electronic singlet states of ${\rm H}_3^+$H3+
Authors: Mukherjee Saikat , Mukhopadhyay Debasis , Adhikari Satrajit
Published: November 2014

We calculate the adiabatic Potential Energy Surfaces (PESs) and the Non-Adiabatic Coupling Terms (NACTs) for the three lowest singlet states of \documentclass[12pt]{minimal}\begin{document}${\rm H}_3^+$\end{document}H3+ in hyperspherical coordinates as functions of hyperangles (θ and ϕ) for a grid of fixed values of hyperradius (1.5 ⩽ ρ ⩽ 20 bohrs) using the MRCI level of methodology employing ab initio quantum chemistry package (MOLPRO). The NACT between the ground and the first excited state translates along the seams on the θ − ϕ space, i.e., there are six Conical Intersections (CIs) at each θ (60° ⩽ θ ⩽ 90°) within the domain, 0 ⩽ ϕ ⩽ 2π. While transforming the adiabatic PESs to the diabatic ones, such surfaces show up six crossings along those seams. Our beyond Born-Oppenheimer approach could incorporate the effect of NACTs accurately and construct single-valued, continuous, smooth, and symmetric diabatic PESs. Since the location of CIs and the spatial amplitudes of NACTs are most prominent around ρ = 10 bohrs, generally only those results are depicted.
Integrable perturbations of conformal field theories and Yetter-Drinfeld modules
Authors: Bücher David , Runkel Ingo
Published: November 2014

In this paper we relate a problem in representation theory — the study of Yetter-Drinfeld modules over certain braided Hopf algebras — to a problem in two-dimensional quantum field theory, namely, the identification of integrable perturbations of a conformal field theory. A prescription that parallels Lusztig's construction allows one to read off the quantum group governing the integrable symmetry. As an example, we illustrate how the quantum group for the loop algebra of \documentclass[12pt]{minimal}\begin{document}$\mathfrak {sl}(2)$\end{document}sl(2) appears in the integrable structure of the perturbed uncompactified and compactified free boson.