Results 101 to 110 of about 45,903 (284)

Different shapes of impurity concentration profiles formed by long-range interstitial migration

, 2015
A model of interstitial impurity migration is proposed which explains the redistribution of ion-implanted boron in low-temperature annealing of nonamorphized silicon layers.
Velichko, O. I.
core   +3 more sources

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

Advanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje, Wilson Henao, Tania Rodenas, Patricia Concepción, Virginia Pérez Dieste, Alexander Missyul, Giovanni Agostini, Gonzalo Prieto   +7 more
wiley   +1 more source

Degree-based topological properties of borophene sheets

Main Group Metal Chemistry
This study examines many innovative topological numbers and establishes mathematical interpretations for boron clusters and borophene coverings. The general Randic index, arithmetic index, and Albertson index are discussed in this work for the alpha ...
Al Khabyah Ali, Ahmad Ali, Azeem Muhammad, Koam Ali N. A.   +3 more
doaj   +1 more source

Graphite and Hexagonal Boron-Nitride Possess the Same Interlayer Distance. Why?

, 2011
Graphite and hexagonal boron nitride (h-BN) are two prominent members of the family of layered materials possessing a hexagonal lattice. While graphite has non-polar homo-nuclear C-C intra-layer bonds, h-BN presents highly polar B-N bonds resulting in ...
Alem N., Barone V., Baskin Y., Becke A. D., Benedict L. X., Bernal J. D., Björk J., Borwein D., Borwein D., Boys S. F., Buldum A., Carlson A., Castro Neto A. H., Catellani A., Chakarova-Kack S. D., Charlier J.-C., Chu X., Chung D., Cumings J., De Leeuw S. W., Dean C. R., Ding X., Ewald P. P., Ezawa M., Fan Y., Fernandez-Rossier J., Frisch M. J., Fumi F. G., Geim A. K., Ghosh P. N., Giovannetti G., Girifalco L. A., Gorbachev R. V., Green J. F., Han W.-Q., Hanke F., Hariharan P. C., Hasegawa M., Hirshfeld F. L., Hod O., Hod O., Hod O., Iijima S., Jin C., Kern G., Kganyago K. R., Kolmogorov A. N., Kuzuba T., Lebegue S., Lee C., Lennard-Jones J. E., Liu L., Liu Z., Lomer W. M., Lopatin V. V., Marini A., Marom N., Marom N., Marom N., Marom N., Meyer J. C., Mosuang T. E., Muramatsu Y., Natan A., Novoselov K. S., Novoselov K. S., Oded Hod, Onodera T., Onodera T., Ooi N., Ortmann F., Pacile D., Palser A. H. R., Parry D. E., Paszkowicz W., Pease R., Perdew J. P., Qi Y., Ren X., Ribeiro R. M., Rydberg H., Rydberg H., Shemella P., Shi Y., Simon S., Slawinska J., Solozhenko V. L., Song L., Spanu L., Taylor R., Tkatchenko A., Topsakal M., Toukmaji A. Y., Vernov A., Warner J. H., Xue J., Yamamura S., Zacharia R., Zeng H., Zhao Y., Zhao Y., Zhi C., Zobelli A., Zucker I. J., Zunger A.   +104 more
core   +1 more source

Bacteria‐Responsive Nanostructured Drug Delivery Systems for Targeted Antimicrobial Therapy

Advanced Materials, EarlyView.
Bacteria‐responsive nanocarriers are designed to release antimicrobials only in the presence of infection‐specific cues. This selective activation ensures drug release precisely at the site of infection, avoiding premature or indiscriminate release, and enhancing efficacy.
Guillermo Landa, Gracia Mendoza, Silvia Irusta, Manuel Arruebo   +3 more
wiley   +1 more source

IMP Science Gateway: from the Portal to the Hub of Virtual Experimental Labs in Materials Science

, 2014
"Science gateway" (SG) ideology means a user-friendly intuitive interface between scientists (or scientific communities) and different software components + various distributed computing infrastructures (DCIs) (like grids, clouds, clusters), where ...
Baskova, Olexandra, Bekenev, Lev, Gatsenko, Olexander, Gordienko, Yuri, Stirenko, Sergii, Zasimchuk, Elena   +5 more
core   +1 more source

Kelvin Probe Force Microscopy in Bionanotechnology: Current Advances and Future Perspectives

Advanced Materials, EarlyView.
Kelvin probe force microscopy (KPFM) enables the nanoscale mapping of electrostatic surface potentials. While widely applied in materials science, its use in biological systems remains emerging. This review presents recent advances in KPFM applied to biological samples and provides a critical perspective on current limitations and future directions for
Ehsan Rahimi, Mario Palacios‐Corella, Arjan Mol, Salvador Pané, Josep Puigmartí‐Luis   +4 more
wiley   +1 more source

Interpreting Ring Currents from Hückel-Guided σ- and π-Electron Delocalization in Small Boron Rings

Molecules
The aromaticity of small boron clusters remains under scrutiny due to persistent inconsistencies between magnetic and electronic descriptors. Here, we reexamine B3−, B3+, B4, B42+, and B42− using a multidimensional approach that integrates Adaptive ...
Dumer S. Sacanamboy, Williams García-Argote, Rodolfo Pumachagua-Huertas, Carlos Cárdenas, Luis Leyva-Parra, Lina Ruiz, William Tiznado   +6 more
doaj   +1 more source

Are hemispherical caps of boron-nitride nanotubes possible?

, 2004
We report all-electron, density-functional calculations with large Gaussian polarization basis set of the recently synthesized octahedral B24N24 cage that is perfectly round by symmetry, and boron-nitride (BN) clusters that its existence might suggest ...
Andzelm, Andzelm, Becke, Blase, Blase, Brett I Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Dunlap, Eichkorn, Fowler, Fujita, Godbout, Haddon, Harrison, Haymet, Iijima, Kohn, Kroto, Mintmire, Oku, Press, Rajendra R Zope, Schmalz, Schwarz, Sun, Terrones, Thess, Vauthier, Veillard, Zhu   +34 more
core   +1 more source

Beyond Presumptions: Toward Mechanistic Clarity in Metal‐Free Carbon Catalysts for Electrochemical H2O2 Production via Data Science

Advanced Materials, EarlyView.
Metal‐free carbon catalysts enable the sustainable synthesis of hydrogen peroxide via two‐electron oxygen reduction; however, active site complexity continues to hinder reliable interpretation. This review critiques correlation‐based approaches and highlights the importance of orthogonal experimental designs, standardized catalyst passports ...
Dayu Zhu, Hsi‐wen Wu, Xiao Wang, Jie Zhang   +3 more
wiley   +1 more source