Chem. Rev., Articles ASAP (As Soon As Publishable)
Publication Date (Web): March 23, 2016 (Review)
DOI: 10.1021/acs.chemrev.5b00648
Interest in molecular crystals has grown thanks to their relevance to pharmaceuticals, organic semiconductor materials, foods, and many other applications. Electronic structure methods have become an increasingly important tool for modeling molecular ...
Xiaolong Liu, Itamar Balla, Hadallia Bergeron, and Mark C. Hersam
J. Phys. Chem. C, Articles ASAP (As Soon As Publishable)
Publication Date (Web): March 22, 2016 (Article)
DOI: 10.1021/acs.jpcc.6b02073
With reduced degrees of freedom, structural defects are expected to play a greater role in two-dimensional materials in comparison to their bulk counterparts. In particular, mechanical strength, electronic properties, and chemical reactivity are strongly ...
Laura Abella, Marc Mulet-Gas, Antonio Rodrı́guez-Fortea, and Josep M. Poblet
Inorg. Chem., 2016, 55 (7), pp 3302–3306
Publication Date (Web): March 22, 2016 (Article)
DOI: 10.1021/acs.inorgchem.5b02414
Different structures have been proposed so far for the C92 isomer that encapsulates M3N (M = La, Ce, Pr). We show here that the electrochemical properties of the predicted most abundant (thermodynamic) isomer for La3N@C92 does not agree with experiment. ...
Different structures have been proposed so far for the C92 isomer that encapsulates M3N (M = La, Ce, Pr). We show here that the electrochemical properties of the predicted thermodynamically most abundant isomer for La3N@C92 does not agree with experiment and propose other alternatives before its X-ray structure could be solved.
Zhong-Sheng Cai, Song-Song Bao, Xi-Zhang Wang, Zheng Hu, and Li-Min Zheng
Inorg. Chem., 2016, 55 (7), pp 3706–3712
Publication Date (Web): March 21, 2016 (Article)
DOI: 10.1021/acs.inorgchem.6b00413
Humidity-induced multiple-step single-crystal to single-crystal (SC-SC) transformations are observed in the cobalt phosphonate (NH4)3[Co2(bamdpH)2(HCOO)(H2O)2] (1), where bamdpH4 is (benzylazanediyl)bis(methylene)diphosphonic acid, [C6H5CH2N(CH2PO3H2)2]. ...
The cobalt phosphonate (NH4)3[Co2(bamdpH)2(HCOO)(H2O)2] (1; bamdpH4 = C6H5CH2N(CH2PO3H2)2) experiences a humidity-induced single-crystal to single-crystal structural transformation to form [Co(bamdpH2)(H2O)2]·2H2O (2), accompanied by a complete hydrolysis of the formate linkage.
Jun Hong Park, Suresh Vishwanath, Xinyu Liu, Huawei Zhou, Sarah M. Eichfeld, Susan K. Fullerton-Shirey, Joshua A. Robinson, Randall M. Feenstra, Jacek Furdyna, Debdeep Jena, Huili Grace Xing, and Andrew C. Kummel
ACS Nano, Articles ASAP (As Soon As Publishable)
Publication Date (Web): March 18, 2016 (Article)
DOI: 10.1021/acsnano.5b07698
The effect of air exposure on 2H-WSe2/HOPG is determined via scanning tunneling microscopy (STM). WSe2 was grown by molecular beam epitaxy on highly oriented pyrolytic graphite (HOPG), and afterward, a Se adlayer was deposited in situ on WSe2/HOPG to ...
Omar Teschke and David Mendez Soares
Langmuir, 2016, 32 (12), pp 2996–3003
Publication Date (Web): March 16, 2016 (Article)
DOI: 10.1021/acs.langmuir.6b00092
Structures of crystallized deposits formed by the molecular self-assembly of aspartic acid and valine on silicon substrates were imaged by atomic force microscopy. Images of d- and l-aspartic acid crystal surfaces showing extended molecularly flat sheets ...
Robin Taylor, Jason C. Cole, and Colin R. Groom
Crystal Growth & Design, Articles ASAP (As Soon As Publishable)
Publication Date (Web): March 15, 2016 (Article)
DOI: 10.1021/acs.cgd.6b00355
We describe an algorithm for enumerating and classifying molecular interaction motifs in crystal structures taken from the Cambridge Structural Database. It was used to determine which motifs have the highest propensity to occur in structures with Z′ > 1 ...
We have exhaustively enumerated molecular interactions motifs in crystal structures taken from the Cambridge Structural Database. This has enabled us to identify motifs that show a statistically significant tendency to occur in crystal structures with Z′ > 1, along with motifs that preferentially form between symmetry-independent molecules in such structures. These motifs may be instrumental in stabilizing structures with Z′ > 1.
Vadim M. Kovrugin, Marie Colmont, Oleg I. Siidra, Sergey V. Krivovichev, and Olivier Mentre
Crystal Growth & Design, Just Accepted
Publication Date (Web): March 15, 2016 (Article)
DOI: 10.1021/acs.cgd.5b01706
Our recent exploration of the Pb-Ni-Se-O “crystallization phase diagram” in hydrothermal conditions has led to the discovery of three new selenites. Here we have applied a similar systematic method to the Pb-V-Se-O system using both hydrothermal and CVT ...
Ruipeng Li, Jun Zhang, Rui Tan, Frauke Gerdes, Zhiping Luo, Hongwu Xu, Jennifer A. Hollingsworth, Christian Klinke, Ou Chen, and Zhongwu Wang
Nano Lett., 2016, 16 (4), pp 2792–2799
Publication Date (Web): March 15, 2016 (Letter)
DOI: 10.1021/acs.nanolett.6b00564
Anisotropic nanocrystal assembled supercrystals with open superlattices (SLs) manifest novel and unique properties, but poor understanding of the nucleation/growth mechanisms limits their design and fabrication for practical applications. Using highly ...
Dajana Durach, Peter Schultz, Oliver Oeckler, and Wolfgang Schnick
Inorg. Chem., 2016, 55 (7), pp 3624–3629
Publication Date (Web): March 15, 2016 (Article)
DOI: 10.1021/acs.inorgchem.6b00143
Microcrystals of the oxonitridosilicate oxide La11Si13N27.636O1.046:Ce3+ were obtained by exploratory high-temperature synthesis starting from La, La(NH2)3, Si(NH)2, BaH2, and CeF3. Owing to the small size of the crystals, microfocused synchrotron ...
The reaction of La, La(NH2)3, Si(NH)2, BaH2, and CeF3 under high-temperature conditions leads to the formation of the new species La11Si13N27.636O1.046:Ce3+. Due to its micrometer-sized single crystals, its structure was elucidated using microfocused synchrotron radiation. The compound exhibits an entirely new tetrahedral network structure with several split positions indicating two different local structure variants. With the knowledge of the exact composition, determined from structure analysis, it was possible to optimize the synthesis.
Gregory Morrison, T. Thao Tran, P. Shiv Halasyamani, and Hans-Conrad zur Loye
Inorg. Chem., 2016, 55 (7), pp 3215–3217
Publication Date (Web): March 14, 2016 (Communication)
DOI: 10.1021/acs.inorgchem.6b00242
Single crystals of K8(K5F)U6Si8O40 were grown from a mixed alkali halide flux. K8(K5F)U6Si8O40 is the first intergrowth uranyl silicate, being composed of alternating slabs related to two previously reported uranyl silicates: Cs2USiO6 and [Na9F2][(UO2)(UO...
Single crystals of K8(K5F)U6Si8O40 were grown using a mixed KF/KBr flux. This compound is the first intergrowth uranyl silicate, being composed of ABAB stacking of Cs2USiO6-related and [Na9F2][(UO2)(UO2)2(Si2O7)2])-related slabs. K8(K5F)U6Si8O40 luminesces intensely at room temperature, and its luminescence is influenced by the unique bonding in the [(UO2)2O] unit.
Amala Dass, Tanya Jones, Milan Rambukwella, David Crasto, Kevin J. Gagnon, Luca Sementa, Martina De Vetta, Oscar Baseggio, Edoardo Aprà, Mauro Stener, and Alessandro Fortunelli
J. Phys. Chem. C, 2016, 120 (11), pp 6256–6261
Publication Date (Web): March 9, 2016 (Article)
DOI: 10.1021/acs.jpcc.6b00062
We report the complete X-ray crystallographic structure as determined through single-crystal X-ray diffraction and a thorough theoretical analysis of the green gold Au30(S-tBu)18. While the structure of Au30S(S-tBu)18 with 19 sulfur atoms has been ...
Anastasia Filtschew, Kathrin Hofmann, and Christian Hess
J. Phys. Chem. C, 2016, 120 (12), pp 6694–6703
Publication Date (Web): March 7, 2016 (Article)
DOI: 10.1021/acs.jpcc.6b00959
Ceria is an interesting component for a variety of catalytic and fuel cell applications. In the study described here, ten different commercial ceria samples as well as synthesized ceria samples were investigated in detail regarding their (defect) ...
Dan Li, Simon A. Bretschneider, Victor W. Bergmann, Ilka M. Hermes, Julian Mars, Alexander Klasen, Hao Lu, Wolfgang Tremel, Markus Mezger, Hans-Jürgen Butt, Stefan A. L. Weber, and Rüdiger Berger
J. Phys. Chem. C, 2016, 120 (12), pp 6363–6368
Publication Date (Web): March 4, 2016 (Article)
DOI: 10.1021/acs.jpcc.6b00335
Methylammonium lead halide perovskites (MAPbI3) are very sensitive to humid environments. We performed in situ scanning force microscopy and in situ X-ray diffraction measurements on MAPbI3 films to track changes in the film morphology and crystal ...
Hiroki Ago, Satoru Fukamachi, Hiroko Endo, Pablo Solís-Fernández, Rozan Mohamad Yunus, Yuki Uchida, Vishal Panchal, Olga Kazakova, and Masaharu Tsuji
ACS Nano, 2016, 10 (3), pp 3233–3240
Publication Date (Web): March 4, 2016 (Article)
DOI: 10.1021/acsnano.5b05879
The presence of grain boundaries in two-dimensional (2D) materials is known to greatly affect their physical, electrical, and chemical properties. Given the difficulty in growing perfect large single-crystals of 2D materials, revealing the presence and ...
Felipe Fávaro de Oliveira, S. Ali Momenzadeh, Denis Antonov, Jochen Scharpf, Christian Osterkamp, Boris Naydenov, Fedor Jelezko, Andrej Denisenko, and Jörg Wrachtrup
Nano Lett., 2016, 16 (4), pp 2228–2233
Publication Date (Web): March 3, 2016 (Letter)
DOI: 10.1021/acs.nanolett.5b04511
The negatively charged nitrogen-vacancy (NV) center in diamond has been shown recently as an excellent sensor for external spins. Nevertheless, their optimum engineering in the near-surface region still requires quantitative knowledge in regard to their ...
Ward van der Stam, Freddy T. Rabouw, Sander J. W. Vonk, Jaco J. Geuchies, Hans Ligthart, Andrei V. Petukhov, and Celso de Mello Donega
Nano Lett., 2016, 16 (4), pp 2608–2614
Publication Date (Web): March 1, 2016 (Letter)
DOI: 10.1021/acs.nanolett.6b00221
Ordered two-dimensional (2D) superstructures of colloidal nanocrystals (NCs) can be tailored by the size, shape, composition, and surface chemistry of the NC building blocks, which can give directionality to the resulting superstructure geometry. The ...
Robert W. Day, Max N. Mankin, and Charles M. Lieber
Nano Lett., 2016, 16 (4), pp 2830–2836
Publication Date (Web): March 1, 2016 (Letter)
DOI: 10.1021/acs.nanolett.6b00629
One-dimensional (1D) structures offer unique opportunities for materials synthesis since crystal phases and morphologies that are difficult or impossible to achieve in macroscopic crystals can be synthesized as 1D nanowires (NWs). Recently, we ...
Bin Yang, Jong Keum, Olga S. Ovchinnikova, Alex Belianinov, Shiyou Chen, Mao-Hua Du, Ilia N. Ivanov, Christopher M. Rouleau, David B. Geohegan, and Kai Xiao
J. Am. Chem. Soc., Articles ASAP (As Soon As Publishable)
Publication Date (Web): March 1, 2016 (Article)
DOI: 10.1021/jacs.5b13254
Organometallic halide perovskites (OHPs) hold great promise for next-generation, low-cost optoelectronic devices. During the chemical synthesis and crystallization of OHP thin films, a major unresolved question is the competition between multiple halide ...
Hong-Mei Ren, Chen Cai, Chun-Bo Leng, Shu-Feng Pang, and Yun-Hong Zhang
J. Phys. Chem. B, 2016, 120 (11), pp 2913–2920
Publication Date (Web): March 1, 2016 (Article)
DOI: 10.1021/acs.jpcb.5b12442
The in situ infrared spectra of sodium nitrate (NaNO3) and mixed NaNO3/glycerol droplets with organic to inorganic molar ratio (OIR) of 1:8, 1:4, 1:2, 1:1, and 2:1 on the ZnSe substrate were collected using the Fourier transform infrared attenuated total ...
