Results 41 to 50 of about 45,903 (284)

The Activation Energy of Viscous Flow and Liquid–Liquid Structure Transition in Co-B Alloys

Metals, 2023
The temperature dependences of the kinematic viscosity during heating and cooling have been investigated in Co-B melts with a boron content of up to 30.8 at.
Yuri N. Starodubtsev, Vladimir S. Tsepelev, Viktor V. Konashkov, Nadezhda P. Tsepeleva   +3 more
doaj   +1 more source

The high-pressure phase of boron, {\gamma}-B28: disputes and conclusions of 5 years after discovery [PDF]

, 2011
{\gamma}-B28 is a recently established high-pressure phase of boron. Its structure consists of icosahedral B12 clusters and B2 dumbbells in a NaCl-type arrangement (B2){\delta}+(B12){\delta}- and displays a significant charge transfer {\delta}~0.5- 0.6 ...
A. R. Oganov, A.F. Wells, A.G. Christy, A.R. Oganov, A.R. Oganov, A.R. Oganov, A.R. Oganov, B. Edwards, B.E. Douglas, C. Gatti, D. Gabunia, E. Amberger, E. Amberger, E. Weintraub, G. Will, G.A. Slack, H. Werheit, I.D. Brown, J.P. Perdew, M. Vlasse, M.J. Setten Van, O. O. Kurakevych, O.A. Tsagareishvili, O.O. Kurakevych, P. Macchi, P. Rulis, P. Rulis, R.F.W. Bader, R.H. Wentorf Jr., S. Veprek, S.R. Elliott, S.S. Batsanov, T. Ogitsu, U. Haussermann, V. L. Solozhenko, V.A. Mukhanov, V.G. Tsirelson, V.L. Solozhenko, V.V. Brazhkin, W. Hayami, X.-F. Zhou, X.-Q. Chen, Y. Godec Le, Y. Godec Le, Y. Le Godec   +44 more
core   +4 more sources

Functionalizing graphene by embedded boron clusters

Nanotechnology, 2008
10 pages, 2 figures, 1 ...
Quandt, A., Özdogan, C., Kunstmann, J., Fehske, H.   +3 more
openaire   +4 more sources

Structural evolution and electronic properties of doped boron clusters Ta2Bn (n = 10 ∼ 20): Ta2B16 and Ta2B18 with strong aromaticity

Results in Physics, 2023
In this work, we combine the CALYPSO method with DFT calculations to conduct a comprehensive structural search of Ta2Bn (n = 10 ∼ 20) clusters. Among all the candidate structures obtained by CALYPSO searching, the structures of ground state Ta2Bn ...
QingYang Li, YanFei Hu, YuanYuan Li, XiaoFeng Tian, YuQuan Yuan, Hang Yang, Ming He   +6 more
doaj   +1 more source

Absence of boron aggregates in superconducting silicon confirmed by atom probe tomography

, 2012
Superconducting boron-doped silicon films prepared by gas immersion laser doping (GILD) technique are analyzed by atom probe tomography. The resulting three-dimensional chemical composition reveals that boron atoms are incorporated into crystalline ...
Boulmer, J., Bustarret, E., Courtois, H., Dahlem, F., Debarre, D., Dubois, C., Hoummada, K., Kociniewski, T., Mangelinck, D., Prudon, G.   +9 more
core   +4 more sources

The theoretical study on interaction of hydrogen with single-walled boron nitride nanotubes. I. The reactive force field ReaxFFHBN development [PDF]

, 2005
We present a new reactive force field ReaxFFHBN derived to accurately model large molecular and condensed phase systems of H, B, and N atoms. ReaxFFHBN has been tested against quantum calculation data for B–H, B–B, and B–N bond dissociations and for H–B ...
Goddard, William A., III, Han, Sang Soo, Kang, Jeung Ku, Lee, Hyuck Mo, van Duin, Adri C. T.   +4 more
core   +1 more source

Dicarba-closo-dodecarborane-containing half-sandwich complexes of ruthenium, osmium, rhodium and iridium : biological relevance and synthetic strategies [PDF]

, 2012
This review describes how the incorporation of dicarba-closo-dodecarboranes into half-sandwich complexes of ruthenium, osmium, rhodium and iridium might lead to the development of a new class of compounds with applications in medicine. Such a combination
Barry, Nicolas P. E., Sadler, P. J.
core   +1 more source

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

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

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