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George L. Clark
1946 Journal of The American Ceramic Society  
thus rationally explain heretofore mean- ingless empirical formulas.  ...  and base metal.  ... 
doi:10.1111/j.1151-2916.1946.tb11576.x fatcat:5ii23uwipzalvgt5fgdjgiuw4a

Sized-Controlled ZIF-8 Nanoparticle Synthesis from Recycled Mother Liquors: Environmental Impact Assessment

Marta García-Palacín, José Ignacio Martínez, Lorena Paseta, Adam Deacon, Timothy Johnson, Magdalena Malankowska, Carlos Téllez, Joaquín Coronas
2020 ACS Sustainable Chemistry and Engineering  
The morphology, thermal stability, crystallinity, and surface area of the synthesized MOF were investigated.  ...  The effect of different deprotonators as well as washing steps and drying procedure on the synthesis of ZIF-8 from the mother liquor was investigated.  ...  And "Theoretic ZIF-8" is the theoretic yield considering the limiting reagent and the empirical formula of ZIF-8, Zn(mIm) 2 . 3. RESULTS AND DISCUSSION 3.1. Synthesis of ZIF-8.  ... 
doi:10.1021/acssuschemeng.9b07593 pmid:32953286 pmcid:PMC7493283 fatcat:da34xwjwfbewhb7fbevyvl3rom

Copper in Natural Oxide Spinels: The New Mineral Thermaerogenite CuAl2O4, Cuprospinel and Cu-Enriched Varieties of Other Spinel-Group Members from Fumaroles of the Tolbachik Volcano, Kamchatka, Russia

Igor Pekov, Fedor Sandalov, Natalia Koshlyakova, Marina Vigasina, Yury Polekhovsky, Sergey Britvin, Evgeny Sidorov, Anna Turchkova
2018 Minerals  
The empirical formula calculated on the basis of 4 O apfu is: (Cu0.619Zn0.422)Σ1.041(Al1.523Fe3+0.443Cr0.007)Σ1.973O4. The mineral is cubic, Fd-3m, a = 8.093(9) Å, V = 530.1(10) Å3.  ...  Cu-enriched varieties of chrome-spinels (magnesiochromite, chromite, and zincochromite) were likely formed in the course of the metasomatic replacement of a magmatic chrome-spinel in micro-xenoliths of  ...  We thank X-Ray Diffraction Resource Center and Centre for Physical Methods of Surface Investigation of St. Petersburg State University for providing instrumental and computational resources.  ... 
doi:10.3390/min8110498 fatcat:q2bj3r3qzrbcjj6ftfeeifdns4

New Solids In As-O-Mo, As(P)-O-Mo(W) and As(P)-O-Nb(W) Systems That Exhibit Nonlinear Optical Properties

Nikolay Gerasimchuk, Lauri Kivijarvi, Bruce Noll, Meriem Goudjil, Soma Khanra, Yu Ping, Miles Pearson, Frank Röminger
2021 Molecules  
), over several weeks, led to shiny dichroic crystalline materials being formed in cooler parts of the reaction vessel.  ...  Three out of four compounds crystallized in non-centrosymmetric space groups and represent layered 2D polymeric puckered structures that being stacked on each other form 3D lattices.  ...  NG is also very grateful to Charles Barnes (University of Missouri-Columbia; USA), Hubert Wadepohl (Heidelberg University; Germany), for very useful discussions of crystallographic results, and to Wang  ... 
doi:10.3390/molecules26051494 pmid:33803443 pmcid:PMC7967165 fatcat:4ozim6o4ujesrcgxcgkbvwxhyq

The Nature and Multiscale Techniques for Characterizatoin of Mechanical Properties: from Nanostructured Materials to Single Macromolecules Part III. Nanoindentation and Atomic Mechanisms of Local Plastic Deformation

Yu.I. Golovin
2016 Advanced Materials & Technologies  
Up-to-date techniques for characterization of mechanical properties of materials (including biological ones) at all scale levels: macro-, micro-, nano-and atomic-molecular ones are considered.  ...  It is shown that a decrease in the size of crystalline object or its structural elements leads to a decrease in the activation volume, which characterizes the sizes of plastic deformation carrier, up to  ...  It is based on the analysis of soft phonon modes in a lattice of a given symmetry and allows us to predict the conditions of homogeneous nucleation of a dislocation loop or a twin, as well as their crystallographic  ... 
doi:10.17277/amt.2016.03.pp.032-047 fatcat:xfbb37m2szfdrbmuaz53yeuway

Modelling of framework materials at multiple scales: current practices and open questions

Guillaume Fraux, Siwar Chibani, François-Xavier Coudert
2019 Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences  
The last decade has seen an explosion of the family of framework materials and their study, from both the experimental and computational points of view.  ...  We will detail advances in atomistic simulation methods, the development of material databases and the growing use of machine learning for the prediction of properties.  ...  We thank Cory Simon and Martijn Zwijnenburg for their insightful feedback on a first version of this manuscript which appeared on the chemRxiv preprint server.  ... 
doi:10.1098/rsta.2018.0220 pmid:31130101 pmcid:PMC6562347 fatcat:7iarqoyqonbp3kqcftbqezd3ey

Characterization and Optical Properties of Layered InSe and GaSe Crystals Intercalated with Hydrogen and Hydrogen- Containing Molecules [chapter]

Yuriy Zhirko, Vasiliy Grekhov, Nikolay Skubenko, Zakhar Kovalyuk, Taras Feshak
2015 Advanced Materials for Renewable Hydrogen Production, Storage and Utilization  
Also adduced were empirical equations relating concentration distribution of molecules intercalated into the crystal with the duration of IC-DIC processes.  ...  Described in this review are our electron-microscopic, energy dispersion, and optical (IR absorption and low-temperature (4.5 K) photoluminescence) investigations of layered InSe and GaSe crystals intercalated  ...  Acknowledgements Performing these investigations became possible owing to the project no. 0108U000252 within the framework of the departmental subject area in the National Academy of Sciences of Ukraine  ... 
doi:10.5772/61051 fatcat:gp5nsbm6wrea5j7d6e6xbkagmy

Direct imaging of rare-earth ion clusters inYb:CaF2

B. Lacroix, C. Genevois, J. L. Doualan, G. Brasse, A. Braud, P. Ruterana, P. Camy, E. Talbot, R. Moncorgé, J. Margerie
2014 Physical Review B  
The existence and the identification of only one or several coparticipating luminescent Yb 3+ centers in the heavily doped Yb:CaF 2 laser crystals which are considered in the development of several high  ...  near-infrared and visible cooperative emission processes, on the one hand, and direct imaging at the atomic scale of isolated ions and clusters using a high-resolution scanning transmission electron microscope  ...  "), on the real nature of the laser active luminescent centers in this apparently simple CaF 2 crystalline material.  ... 
doi:10.1103/physrevb.90.125124 fatcat:63infmhfnfdfpbabufoofmcery

Correlative image learning of chemo-mechanics in phase-transforming solids [article]

Haitao D. Deng, Hongbo Zhao, Norman L. Jin, Lauren Hughes, Benjamin Savitzky, Colin Ophus, Dimitrios Fraggedakis, András Borbély, Young-Sang Yu, Eder Lomeli, Rui Yan, Jueyi Liu (+5 others)
2021 arXiv   pre-print
Broadly, this work also highlights the potential of integrating correlative microscopy and image learning for extracting material properties and physics.  ...  We demonstrated this approach on Li_XFePO_4, a technologically-relevant battery positive electrode material.  ...  Based on linear elasticity, the total lattice strain is a superposition of individual components.  ... 
arXiv:2107.06192v1 fatcat:6i62lx3bsjdjngj33lcqmqyuwu

The measurement of solid–liquid interfacial energy in colloidal suspensions using grain boundary grooves

Richard B. Rogers, Bruce J. Ackerson
2011 Philosophical Magazine  
In addition to these simulations, Marr predicted values based on Turnbull's empirical correlation [178] which predicts that γ ~ 0.45ΔHρ s 2/3 for metals where ΔH is the latent heat of fusion and ρ s  ...  Proper registration was achieved by aligning defects in the crystalline phases that were visible in adjacent images.  ... 
doi:10.1080/14786435.2010.527306 fatcat:6kltu7bbtvgttepthnmk7qxxe4


Wilfrid R. Foster, Herbert F. Royal†
1949 Journal of The American Ceramic Society  
C The form and arrangement of the chart is based on the Munsell system of color identification.  ...  of cohesion may be based on the assumption of molecular enclosure.  ... 
doi:10.1111/j.1151-2916.1949.tb18898.x fatcat:mvqosrafjnbw5pxs3cp4inpqci

Computational characterization and prediction of metal–organic framework properties

François-Xavier Coudert, Alain H. Fuchs
2016 Coordination chemistry reviews  
A separate section deals with the simulation of adsorption of fluids and fluid mixtures in MOFs.  ...  We discuss the methods for the prediction of crystal structures, geometrical properties and large-scale screening of hypothetical MOFs, as well as their thermal and mechanical properties.  ...  Acknowledgments We thank Anne Boutin for a long-standing and continuing collaboration on the fascinating topic of modeling of nanoporous materials.  ... 
doi:10.1016/j.ccr.2015.08.001 fatcat:4opzu2en6fhr3fl7m6rdrfv724

Report from the third workshop on future directions of solid-state chemistry: The status of solid-state chemistry and its impact in the physical sciences

Mercouri G. Kanatzidis, Kenneth R. Poeppelmeier, Svilen Bobev, Arnold M. Guloy, Shiou-Jyh Hwu, Abdou Lachgar, Susan E. Latturner, Raymond, E. Schaak, Dong-Kyun Seo, Slavi C. Sevov, Andreas Stein (+56 others)
2008 Progress in Solid State Chemistry  
We the organizers of this, the third workshop on ''Future Directions of Solid State Chemistry: The Status of Solid State Chemistry and Its Impact in the Physical Sciences'' want to thank, in fact we must  ...  Acknowledgements The planning Committee gratefully acknowledges financial support from the National Science Foundation under grant DMR-0602701 for planning and for holding the Workshop on The Status of  ...  In spite of the everlasting efforts in developing a rational approach, the generally successful high-temperature route to new materials is still empirical and based on a mixture of analogies, intuition  ... 
doi:10.1016/j.progsolidstchem.2007.02.002 fatcat:ts6djuqdgjcppdff4552k4szm4

The Cambridge Structural Database

Colin R. Groom, Ian J. Bruno, Matthew P. Lightfoot, Suzanna C. Ward
2016 Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials  
The database has been in operation for over 50 years and continues to be the primary means of sharing structural chemistry data and knowledge across disciplines.  ...  The Cambridge Structural Database (CSD) contains a complete record of all published organic and metal–organic small-molecule crystal structures.  ...  Acknowledgements It is a pleasure to acknowledge the work of all CCDC staff and trustees, past and present, who have contributed so much to the creation, maintenance and evolution of the CSD.  ... 
doi:10.1107/s2052520616003954 pmid:27048719 pmcid:PMC4822653 fatcat:cydam2yydjac7humf3a3wi7fei

Proceedings of the conference "Electronic Processes in Organic and Inorganic Materials" (ICEPOM-12) [article]

I., A., Kh., H., D., V., P., V. J., N., R., E., J. (+2 others)
2020 Zenodo  
Proceedings of the conference "Electronic Processes in Organic and Inorganic Materials" (ICEPOM-12)  ...  The work was supported by the projects "Smart" sensory devices of new generation based on modern materials and technologies" 2020; NATO G5291. Acknowledgment.  ...  The work was supported by the projects "Smart" sensory devices of new generation based on modern materials and technologies" 2020; NATO G5291. Acknowledgment.  ... 
doi:10.5281/zenodo.4518555 fatcat:yzkr5fpohzbl3njjlkux45nlla
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