Results 51 to 60 of about 47,062 (224)

Structure–Electronic property relationship in M–C2B9H11 complexes (M = Fe, Co, Ni, Cu): Toward efficient water-splitting electrocatalysts

Results in Chemistry
This study presents a comprehensive first-principles investigation of the structural, electronic, and catalytic properties of a class of boron-rich clusters, M–C2B9H11 (M = Fe, Co, Ni, Cu), derived from crystalline B12 and C2B10 frameworks.
Nasim Hassani, Farbod Sadeghi
doaj   +1 more source

Properties and benefits of fluorine in silicon and silicon-germanium devices

Journal of Telecommunications and Information Technology, 2023
This paper reviews the behaviour of fluorine in silicon and silicon-germanium devices. Fluorine is shown to have many beneficial effects in polysilicon emitter bipolar transistors, including higher values of gain, lower emitter resistance, lower 1/f ...
Peter Ashbur, Huda A. W. El Mubarek
doaj   +1 more source

Magnetic states and optical properties of single-layer carbon-doped hexagonal boron nitride

, 2012
We show that carbon-doped hexagonal boron nitride (h-BN) has extraordinary properties with many possible applications. We demonstrate that the substitution-induced impurity states, associated with carbon atoms, and their interactions dictate the ...
Neto, Antonio H. Castro, Park, Hyoungki, Wadehra, Amita, Wilkins, John W.   +3 more
core   +1 more source

Ab initio many-body calculations of static dipole polarizabilities of linear carbon chains and chain-like boron clusters

, 2002
In this paper we report a theoretical study of the static dipole polarizability of two one-dimensional structures: (a) linear carbon chains C$_{n} (n=2-10)$ and (b) ladder-like planar boron chains B$_{n} (n=4-14)$.
Abdurahman, Ayjamal, Seifert, Gotthard, Shukla, Alok   +2 more
core   +2 more sources

Strain energy calculations of hexagonal boron nanotubes: An ab-initio approach [PDF]

, 2012
An ab initio calculations have been carried out for examining the curvature effect of small diameter hexagonal boron nanotubes. The considered conformations of boron nanotubes are namely armchair (3,3), zigzag (5,0) and chiral (4,2), and consist of 12 ...
Jain, S. K., Srivastava, P.
core   +4 more sources

Ab Initio Prediction of Boron Compounds Arising from Borozene: Structural and Electronic Properties

Nanoscale Research Letters, 2009
Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings have been studied by means of first principles calculations based on the generalized-gradient approximation of the density functional theory. Moreover,
La Magna A, Deretzis I, Pucci R, Forte G
doaj   +1 more source

Gold(III) Complexation in the Presence of the Macropolyhedral Hydridoborate Cluster [B₂₀H₁₈]²⁻

Inorganics, 2022
Gold(III) complexation with the octadecahydrido-eicosaborate anion [B20H18]2− was studied for the first time. It was found that when gold(III) complexes [Au(L)Cl2]BF4 (L = bipy, phen) reacted with [B20H18]2−, complexes [Au(L)Cl2]2[B20H18] were isolated ...
Varvara V. Avdeeva, Anna V. Vologzhanina, Alexey S. Kubasov, Nailya S. Akhmadullina, Oleg N. Shishilov, Elena A. Malinina, Nikolay T. Kuznetsov   +6 more
doaj   +1 more source

Measurement of boron and carbon fluxes in cosmic rays with the PAMELA experiment [PDF]

, 2014
The propagation of cosmic rays inside our galaxy plays a fundamental role in shaping their injection spectra into those observed at Earth. One of the best tools to investigate this issue is the ratio of fluxes for secondary and primary species. The boron-
Adriani, O., Barbarino, G. C., Bazilevskaya, G. A., Bellotti, R., Boezio, M., Bogomolov, E. A., Bongi, M., Bonvicini, V., Bottai, S., Bruno, A., Cafagna, F., Campana, D., Carbone, R., Carlson, P., Casolino, M., Castellini, G., Danilchenko, I. A., De Donato, C., De Santis, C., De Simone, N., Di Felice, V., Formato, V., Galper, A. M., Karelin, A. V., Koldashov, S. V., Koldobskiy, S., Krutkov, S. Y., Kvashnin, A. N., Leonov, A., Malakhov, V., Marcelli, L., Martucci, M., Mayorov, A. G., Menn, W., Mergé, M., Mikhailov, V. V., Mocchiutti, E., Monaco, A., Mori, N., Munini, R., Osteria, G., Palma, F., Panico, B., Papini, P., Pearce, M., Picozza, P., Pizzolotto, C., Ricci, M., Ricciarini, S. B., Rossetto, L., Sarkar, R., Scotti, V., Simon, M., Sparvoli, R., Spillantini, P., Stozhkov, Y. I., Vacchi, A., Vannuccini, E., Vasilyev, G. I., Voronov, S. A., Yurkin, Y. T., Zampa, G., Zampa, N., Zverev, V. G.   +63 more
core   +2 more sources

Computational study of boron nitride nanotube synthesis: how catalyst morphology stabilizes the boron nitride bond [PDF]

, 2009
In an attempt to understand why catalytic methods for the growth of boron nitride nanotubes work much worse than for their carbon counterparts, we use first-principles calculations to study the energetics of elemental reactions forming N2, B2 and BN ...
A. S. Foster, A. V. Krasheninnikov, C. Kittel, R. M. Nieminen, S. Riikonen   +4 more
core   +3 more sources

Planar Elongated B₁₂ Structure in M₃B₁₂ Clusters (M = Cu-Au)

Molecules, 2022
Here, it is shown that the M3B12 (M = Cu-Au) clusters’ global minima consist of an elongated planar B12 fragment connected by an in-plane linear M3 fragment.
José Solar-Encinas, Alejandro Vásquez-Espinal, Luis Leyva-Parra, Osvaldo Yañez, Diego Inostroza, Maria Luisa Valenzuela, Walter Orellana, William Tiznado   +7 more
doaj   +1 more source