Archive for the ‘Hot Article’ Category

HOT articles for June

Role of epitaxy-mediated transformation in Ostwald’s step rule: a theoretical study
Natsuki Niekawa and Masao Kitamura

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40582F, Paper

Role of epitaxy-mediated transformation in Ostwald's step rule: a theoretical study

Free to access until 23rd July


ZnO nanorods/Ag nanoparticles heterostructures with tunable Ag contents: A facile solution-phase synthesis and applications in photocatalysis
Zhengcui Wu, Chengrong Xu, Yaqin Wu, Hao Yu, Yang Tao, Hao Wan and Feng Gao

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40753E, Paper

ZnO nanorods/Ag nanoparticles heterostructures with tunable Ag contents: A facile solution-phase synthesis and applications in photocatalysis

Free to access until 23rd July


Solvent controlled assembly of four Mn(II)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties
Yan-Xi Tan, Yan-Ping He, Ying Zhang, Yan-Jun Zheng and Jian Zhang

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40677F, Paper

Solvent controlled assembly of four Mn(II)-2,5-thiophenedicarboxylate frameworks with rod-packing architectures and magnetic properties

Free to access until 23rd July

 


A general and eco-friendly self-etching route to prepare highly active and stable Au@metal silicate yolk-shell nanoreactors for catalytic reduction of 4-nitrophenol
Kai Dong, Zhen Liu and Jinsong Ren

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40350E, Paper

A general and eco-friendly self-etching route to prepare highly active and stable Au@metal silicate yolk-shell nanoreactors for catalytic reduction of 4-nitrophenol

Free to access until 19th July


Effect of substrate pre-treatment on controllable synthesis of hexagonal WO3 nanorod arrays and their electrochromic properties
Feng Zheng, Hui Lu, Min Guo and Mei Zhang 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40494C, Paper

Effect of substrate pre-treatment on controllable synthesis of hexagonal WO3 nanorod arrays and their electrochromic properties

Free to access until 19th July 


Hierarchical porous hydroxyapatite microsphere as drug delivery carrier
Hui Yang, Lijing Hao, Naru Zhao, Chang Du and Yingjun Wang 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40710A, Communication 

Hierarchical porous hydroxyapatite microsphere as drug delivery carrier  

Free to access until 19th July

 
 


Enhanced dielectric properties of (Ba,Sr)TiO3//Ba(Zr,Ti)O3 heterostructures with optimized structure design
Ming Liu, Jian Liu, Chunrui Ma, Gregory Collins, Chonglin Chen, Andy D. Alemayehu, Guru Subramanyam, Jie He, Jiechao Jiang, Efstathios I. Meletis and Amar Bhalla 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE27106D, Communication 

Enhanced dielectric properties of (Ba,Sr)TiO3//Ba(Zr,Ti)O3 heterostructures with optimized structure design  

Free to access until 17th July 


VGCF-core@LiMn0.4Fe0.6PO4-sheath heterostructure nanowire for high rate Li-ion batteries
Koichi Kagesawa, Eiji Hosono, Masashi Okubo, Jun Kikkawa, Daisuke Nishio-Hamane, Tetsuichi Kudo and Haoshen Zhou 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40289D, Communication 

VGCF-core@LiMn0.4Fe0.6PO4-sheath heterostructure nanowire for high rate Li-ion batteries  

Free to access until 17th July 


Microscale pin holders of β-Co(OH)2 and LiCoO2 having a single-crystalline feature
Keisuke Nakajima, Yuya Oaki and Hiroaki Imai 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40688A, Paper 

Microscale pin holders of β-Co(OH)2 and LiCoO2 having a single-crystalline feature  

Free to access until 10th July 


Reactant ratio-modulated entangled Cd(II) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration
Lei Wang, Zhi-Hao Yan, Zhenyu Xiao, Dong Guo, Wenqiang Wang and Yu Yang 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40273H, Paper 

Reactant ratio-modulated entangled Cd(II) coordination polymers based on rigid tripodal imidazole ligand and tetrabromoterephthalic acid: interpenetration, interdigitation and self-penetration  

Free to access until 10th July 


Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4
Dong Sun Lee, Tae-Hoon Kim, Cheol-Hee Park, Chan-Yeup Chung, Young Soo Lim, Won-Seon Seo and Hyung-Ho Park 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40643A, Paper 

Crystal structure, properties and nanostructuring of a new layered chalcogenide semiconductor, Bi2MnTe4  

Free to access until 3rd July 


Top-down fabrication of hematite mesocrystals with tunable morphologies
Jinguang Cai, Suyue Chen, Jun Hu, Zhi Wang, Yurong Ma and Limin Qi 

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40414E, Communication 

 Top-down fabrication of hematite mesocrystals with tunable morphologies  

Free to access until 3rd July

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HOT articles for May

Nanoparticle-based crystal growth via multistep self-assembly
Qiang Zhou, Boyang Wang, Peijie Wang, Christoph Dellago, Yanting Wang and Yan Fang

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40497H, Paper

Nanoparticle-based crystal growth via multistep self-assembly

Free to access until 25th June


Remineralization of dentin collagen by meta-stabilized amorphous calcium phosphate
Jianming Wang, Yi Chen, Li Li, Jian Sun, Xinhua Gu, Xurong Xu, Haihua Pan and Ruikang Tang

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40449H, Paper

Remineralization of dentin collagen by meta-stabilized amorphous calcium phosphate

Free to access until 25th June


A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties

Huan-Huan Chen, Jin Yang, Ying-Ying Liu and Jian-Fang Ma

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40239H, Paper

A series of tetranuclear-cluster-containing complexes based on pendent-arm macrocyclic ligand and different carboxylates: syntheses, structures, photoluminescence, and magnetic properties

Free to access until 25th June


Linker extensions in metal–organic frameworks: a way to isoreticular networks or new topologies?
Daniela Frahm, Frank Hoffmann and Michael Fröba

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40594J, Paper

Linker extensions in metal–organic frameworks: a way to isoreticular networks or new topologies?

Free to access until 25th June


Surface-migration driving uniform amorphous shell on crystalline nanowire: the case of SiC/SiOx core–shell nanowires
Z. L. Cai, G. Wang, B. Song, R. Wu, J. Li and J. K. Jian

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40314A, Paper

Surface-migration driving uniform amorphous shell on crystalline nanowire: the case of SiC/SiOx core–shell nanowires

Free to access until 25th June


Enhanced photochromism of chromen-based colorants near silver nanorods in sol–gel matrix
Mei-Lin Ho, Bo-Jen Chi, Tzu-Yi Hung, Hua-Yang Liao, Jing-Chang Wang, Ting-Yi Wang and Jing-Jong Shyue

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40293B, Paper

 Enhanced photochromism of chromen-based colorants near silver nanorods in sol–gel matrix

Free to access until 17th June


Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design
Susanta K. Nayak, Srijita Basu Mallik, Shankar Prasad Kanaujia, Kanagaraj Sekar, K. R. Ranganathan, V. Ananthalakshmi, G. Jeyaraman, S. S. Saralaya, K. Sundararaja Rao, K. Shridhara, K. Nagarajan and Tayur N. Guru Row

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40336J, Paper

Crystal structures and binding studies of atovaquone and its derivatives with cytochrome bc1: a molecular basis for drug design

Free to access until 17th June


Dendritic Y4O(OH)9NO3:Eu3+/Y2O3:Eu3+ hierarchical structures: controlled synthesis, growth mechanism, and luminescence properties
Qi Zhao, Hongpeng You, Wei Lü, Ning Guo, Yongchao Jia, Wenzhen Lv, Baiqi Shao and Mengmeng Jiao

CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40460A, Paper

Dendritic Y4O(OH)9NO3:Eu3+/Y2O3:Eu3+ hierarchical structures: controlled synthesis, growth mechanism, and luminescence properties

Free to access until 17th June


Positive {hk.l} and negative {hk.¯l} forms of calcite (CaCO3) crystal. New open questions from the evaluation of their surface energies
D. Aquilano, R. Benages-Vilau, M. Bruno, M. Rubbo and F. R. Massaro

CrystEngComm, 2013,15, 4465-4472
DOI: 10.1039/C3CE40203G, Paper

Positive {hk.l} and negative {hk.-l} forms of calcite (CaCO3) crystal.

Free to access until 17th June


 Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule
Julien Lieffrig, Ronan Le Pennec, Olivier Jeannin, Pascale Auban-Senzier and Marc Fourmigué

CrystEngComm, 2013,15, 4408-4412
DOI: 10.1039/C3CE40393A, Communication

Toward chiral conductors: combining halogen bonding ability and chirality within a single tetrathiafulvalene molecule

Free to access until 17th June


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3D POM-silver complexes

Polyoxometalates (POMs) have been widely used as the inorganic component in metal-organic frameworks to construct structures with complex topologies for a variety of functions. These structures tend to be constructed from metal ions and N-containing ligands. Flexible N-donor ligands, such as the bis(triazole) ligands with different spacers of –(CH2)n– (where n = 2, 3, 4, 5, 6), offers even more advantages over their rigid counterparts as the flexibility enables them to form more complex structures.

In this paper, the authors synthesised four compounds based on the PW12O403-–AgI–bis(triazole) system to investigate how the different spacer lengths in the bis(triazole) ligands, and the reaction conditions such as pH and crystallisation time, has on the final topology of the structure. They also studied the electrochemical and photocatalytic properties of these structures, and obtained some very promising results.

The following are some of the fascinating structures that they made.

A series of 3D PW12O403--based AgI-bis(triazole) complexes containing different multinuclear loops: Syntheses, structures and properties

Find out more about them, and their synthetic methods, from the paper now:

A series of 3D PW12O403--based AgI–bis(triazole) complexes containing different multinuclear loops: syntheses, structures and properties
Xiuli Wang, Dan Zhao, Aixiang Tian and Jun Ying
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40375K, Paper


Blog writer-Wendy Wendy is the Development Editor of CrystEngComm. She started working for the RSC in March 2013, after completing her PhD at the University of Cambridge.

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Improving lithium-ion batteries with lithium microspheres

Lithium ion batteries are widely used as portable sources of electric energy, from powering gadgets to cars. As such, there has been great interest in improving their performance, and one of the most promising routes is to use LiMPO4 (where M is either Mn or Fe) hierarchical structures in the battery electrodes. Nevertheless, a synthetic method that is both low cost and do not require harsh chemicals is still necessary for these structures to be used more widely in lithium ion batteries.

In this paper, the authors presented a method of synthesising LiMPO4microspheres via a solvothermal process in a solution of glycerol, citric acid and water. These microspheres had a 3D hierarchical structure, in which the larger spheres are either composed of nanoparticles(LiFePO4) or nanorods (LiMnPO4). They investigated the effects of changing the concentrations of the starting materials have on the morphology of the overall structure, and the growth mechanisms of the crystals. They also used the LiMPO4 microstructures as the cathode in a lithium ion battery set-up to measure their electrochemical properties.

The authors found that the microspheres had high reversible specific capacity and cycling performance, making them ideal candidates for use in batteries. This work opens up a cheap and safe route to manufacturing high performing lithium-ion batteries.

Synthesis of 3D-hiearchical LiMPO4 (M = Fe, Mn) microstructures as cathode materials for lithium-ion batteries

Read their article now to find out more:

Synthesis of 3D-hiearchical LiMPO4 (M = Fe, Mn) microstructures as cathode materials for lithium-ion batteries
Yuanxiang Gu, Weiming Liu, Lei Wang, Guicun Li and Yu Yang
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE00072A, Paper

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New insights into the halogen bond from the Cambridge Structural Database

Supramolecular chemistry studies noncovalent bonding such as intermolecular interactions. One of these, the carbon-halogen bond, has generated much interest due to its applications in crystal engineering and drug design. Many statistical studies of chemical structures found in databases such as the Cambridge Structural Database (CSD) have been made in order to gain insight into molecules incorporating this bond.

In this paper, the authors present a new and more accurate method to analyse CSD data for molecules incorporating halogen atoms. This method has a more accurate angular correction, takes into account competitive supramolecular interactions of the halogen atom (e.g. hydrogen bonds), and also allows significant bond directionalities to be found.

Halogen bonding versus hydrogen bonding: what does the Cambridge Database reveal?

Find out more from their paper:

Halogen bonding versus hydrogen bonding: what does the Cambridge Database reveal?
Tiddo J. Mooibroek and Patrick Gamez
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40285A, Paper

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Synthesis and luminescent properties of Yttrium-Vanadium submicrocrystals

YVO4 microcrystals have generated much interest due to their optical, thermal and mechanical properties, which make them useful in devices such as panel displays and lasers. However, most of the synthetic methods currently used are complex, and the crystals made are not very uniform or disperse.

In this paper, the authors have synthesised monodisperse YVO4:EU3+ submicrocrystals via a simple ethylene glycol assisted hydrothermal method. By fine-tuning the pH of the reaction solution, they were able to obtain various crystal morphologies, such as flower-like, spherical, and octahedral shapes. An investigation into the growth mechanism suggested that the growth happens via a three-step nucleation, oriented aggregation and ripening process.

The luminescent properties of the octahedral and spherical crystals were also carried out. The two forms had similar excitation and emission spectra, with a peak corresponding to red light, although the octahedral crystals had a much stronger intensity than spherical crystals.  The simple synthetic method, together with the emission characteristics of these monodisperse crystals make them good candidates for applications in optoelectronic devices.

Monodisperse YVO4:Eu3+ submicrocrystals: controlled synthesis and luminescence properties

Find out more from their article:

Monodisperse YVO4:Eu3+ submicrocrystals: controlled synthesis and luminescence properties
Baiqi Shao, Qi Zhao, Ning Guo, Yongchao Jia, Wenzhen Lv, Mengmeng Jiao, Wei Lü and Hongpeng You
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE00074E, Paper

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Better field emitters from GaZnO nanopagodas

ZnO nanostructures have generated much interest recently due to their unique properties, which make them ideal candidates for photo applications such as solar cells, light emitting diodes and field emission displays. While it has been known that Ga doped ZnO shows good field emission properties, there are very few studies on how Ga doping affects the ZnO crystals.

In this paper, the authors investigated Ga doped ZnO nanostructures grown by metal–organic chemical vapor deposition. By varying the growth temperature, Ga concentration and growth time, the authors were able to vary the morphology of the GaZnO nanostructures from wires to a pagoda shape. The formation of the pagodas were also explained via a computational simulation of the growth process.

A study of the field emission properties of the GaZnO nanopagodas demonstrated that the geometry of the nanostructure and the density of the pagodas affects the turn-on voltage of the emitters as well as the field enhancement factor. In general, the nanopagodas demonstrated better field emission properties than pure ZnO nanowires.

This study can guide crystal engineers towards designing and producing better GaZnO nanostructures for practical applications.

Experimental and computational insights in the growth

Find out more from the article:

Experimental and computational insights in the growth of gallium-doped zinc oxide nanostructures with superior field emission properties
Hsien-Ming Chiu, Hsin-Jung Tsai, Wen-Kuang Hsu and Jenn-Ming Wu
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40101D, Paper

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The sceptical chymist talks about molecular simulation

Computational simulations have played an important role in the understanding of crystal structures and the atomic level forces which give them different properties. In this excellent Highlight paper, Professor Angelo Gavezzotti draws on his experience as a theoretical chemist as well as some recent experimental results to illustrate the different techniques one may use to model crystalline substances.

Covering topics such as phase transitions, crystal geometry and intermolecular interactions, it is a must read for anyone interested in computational chemistry.

 The “sceptical chymist”: intermolecular doubts and paradoxes

Read the paper here:

The “sceptical chymist”: intermolecular doubts and paradoxes
Angelo Gavezzotti
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE00051F, Highlight

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Precise silver indium disulphide nanocrystals for photodetectors

Following on from a previous blog on CuInS2 nanocrystals, this post is about a very similar material: AgInS2 nanocrystals! Similar to CuInS2, AgInSalso shows desirable properties such as a suitable band gap energy, high absorption coefficient and low toxicity, making them good candidates for optoelectronic devices. As the size and morphology of these crystals determine how they perform, it will be useful to produce nanocrystals with uniform shapes and sizes.

In this paper, a method of synthesising AgInS2 nanocrystals with a uniform size is presented. The authors also demonstrated a way to vary the size of the crystals by changing the composition of the solvents in which the crystals form. An investigation of the photoelectric properties of the AgInS2 nanocrystals was carried out, in which the crystal were hybridised with poly (3-hexylthiophene) to form nanodevices. These devices operate as switches, and with their high sensitivity to light, fast response times, and stability to reversal, can be utilised in many photoelectric applications.

Controlled synthesis of AgInS2 nanocrystals and their application in organic–inorganic hybrid photodetectors

 

Read their article and find out more:

Controlled synthesis of AgInS2 nanocrystals and their application in organic–inorganic hybrid photodetectors
Manjiao Deng, Shuling Shen, Xuewen Wang, Yejun Zhang, Huarui Xu, Ting Zhang and Qiangbin Wang
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40173A, Communication

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Made to order: controlling the crystal structure of copper indium disulphide nanocrystals

CuInS2 belongs to a class of inorganic semiconductors known as metal chalcogenides, which have desirable optical properties that make them useful in photovoltaics. In solar cell applications, CuInS2 is usually deposited as nanocrystals, and the size, shape and structure of these crystals determine the properties of the device. Therefore, it will be desirable to have a synthetic method that can produce crystals with a uniform morphology, and to be able to vary this by changing the synthetic conditions.

Jin Chang and Eric R. Waclawik have achieved this by a wet-chemical method in which CuInS2 forms nanocrystals with a zincblende structure when a weak-coordinating solvent is used, whereas strong-coordinating solvents produce a wurzite structure. The authors were also able to explain the effect by investigating the intermediate species formed during the chemical reaction. This synthetic method was also extended to two other useful materials: Cu2SnS3 and Cu2ZnSnS4, and they were able to produce pure zincblende or wurzite structures depending on the solvent used.

The synthetic process presented in this paper has the potential to be used in fine tuning the optoelectronic properties of photovoltaic materials, thus yielding better devices for solar energy generation.

 

Controlled synthesis of CuInS2, Cu2SnS3 and Cu2ZnSnS4 nano-structures: insight into the universal phase-selectivity mechanism

Read their article to find out more. 

Controlled synthesis of CuInS2, Cu2SnS3 and Cu2ZnSnS4 nano-structures: insight into the universal phase-selectivity mechanism
Jin Chang and Eric R. Waclawik
CrystEngComm, 2013, Advance Article
DOI: 10.1039/C3CE40284C

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