Energy Landscape of Fullerene Materials: A Comparison of Boron to Boron Nitride and Carbon
about
Dynamical behavior of Borospherene: A Nanobubble.Heteroborospherene clusters Nin ∈ B40 (n = 1-4) and heteroborophene monolayers Ni2 ∈ B14 with planar heptacoordinate transition-metal centers in η7-B7 heptagonsPlanar hexagonal B(36) as a potential basis for extended single-atom layer boron sheets.From boron cluster to two-dimensional boron sheet on Cu(111) surface: growth mechanism and hole formationB28: the smallest all-boron cage from an ab initio global search.Reversible ultrafast spin switching on Ni@B80 endohedral fullerene.Hollow Li20B60 Cage: Stability and Hydrogen StorageComparative study on the spectral properties of boron clusters Bn(0/-1)(n = 38-40)Structures, stabilities and spectral properties of borospherene B44- and metalloborospherenes MB440/- (M = Li, Na, and K)Mapping and classifying molecules from a high-throughput structural database.Unfolding the fullerene: nanotubes, graphene and poly-elemental varieties by simulations.Scandium carbides/cyanides in the boron cage: computational prediction of X@B80 (X = Sc2C2, Sc3C2, Sc3CN and Sc3C2CN).Cage-like B40 (+): a perfect borospherene monocation.Metastable exohedrally decorated Borospherene B40.A new hole density as a stability measure for boron fullerenes.Formation of heterofullerenes by direct exposure of C60 to boron vapor.A photoelectron spectroscopy and ab initio study of the structures and chemical bonding of the B25(-) cluster.Accelerating the search for global minima on potential energy surfaces using machine learning.Three-chain B(6n+14) cages as possible precursors for the syntheses of boron fullerenes.Selecting boron fullerenes by cage-doping mechanisms.Endohedral C3 Ca@B39(+) and C2 Ca@B39(+): axially chiral metalloborospherenes based on B39(-).Electronic structure and photoelectron spectra of Bn with n = 26-29: an overview of structural characteristics and growth mechanism of boron clusters.Boron clusters with 46, 48, and 50 atoms: competition among the core-shell, bilayer and quasi-planar structures.What will freestanding borophene nanoribbons look like? An analysis of their possible structures, magnetism and transport properties.Observation of an all-boron fullerene.Hydrogen storage of Li4&B36 cluster.A sphere-cut-splice crossover for the evolution of cluster structures.[Sb4Au4Sb4](2-): A designer all-metal aromatic sandwich.Observation and characterization of the smallest borospherene, B28(-) and B28.Machine learning for the structure-energy-property landscapes of molecular crystals.B80 and B101-103 clusters: remarkable stability of the core-shell structures established by validated density functionalsFirst-principles predicted low-energy structures of NaSc(BH4)4Low-Energy Polymeric Phases of AlanatesPrediction of a novel monoclinic carbon allotropeLow-dimensional boron: searching for Dirac materialsComputational quest for spherical C12B68 fullerenes with “magic” π-electrons and quasi-planar tetra-coordinated carbonComputational investigation on the endohedral borofullerenes M@B40 (M = Sc, Y, La)Many M©Bn boron wheels are local, but not global minimaBoron aggregation in the ground states of boron-carbon fullerenesRelation between the Dynamics of Glassy Clusters and Characteristic Features of their Energy Landscape
P2860
Q30655201-A4427D74-FBFE-450E-A02E-850A013C743DQ33915867-CB3D3AA4-50D7-451A-91EA-0CD7BFBE052BQ34399075-07CB4E2D-62BF-49F4-AC96-6D52D5BD60A8Q35044975-26D90D5A-68FB-44A1-9E85-68A22891DAE1Q35767198-BDE4EB9A-426D-4ABF-8459-858F86CFA8EFQ36213264-A96B84C1-1038-41D3-8551-5A4E85DA55B9Q36796072-986B1BB3-895D-4824-9C4F-028E50337FD9Q36835456-DAC388D7-9F76-464A-A265-323A1326B162Q37576104-4996E6D9-4F84-458E-A120-3BD1176D1FF6Q37621219-2804ED2E-F127-42EE-9D38-AB2BF7FECA03Q38034702-E4EAB575-2968-4A18-B3DE-C99A16505B59Q38841042-7ADA3B7B-6876-4490-914F-EF19D2BF8354Q38868532-68228957-FC8E-484E-ACA1-4715E8CD303DQ41309201-32175E8F-AE82-464E-8A05-521F903D0FF2Q43987678-6E798327-741D-49DE-9B7E-D6790027C7DDQ44259422-7094655B-C464-4008-8C47-4F318455FADFQ45798443-95E4EC00-6F06-4AEC-B6AD-063F42C12402Q45949695-98CD31D3-F111-4C02-A737-66856D9334F7Q46002706-368BFB49-8762-4909-B4B1-AB67F6B17C49Q46048614-72E9722D-4567-49FB-9371-A117B25D5205Q46701823-D89897D6-5730-46C8-8AA8-F7F5DE68BFF8Q46733494-90EC953D-47EE-4355-B28C-C0FE3E9B3269Q47783889-32EE968C-0681-4FBF-8F0E-5D6FDAB5467AQ48051965-DE6CD636-7270-4B45-93CB-C5180EBBC290Q48286961-E61BB5F4-316F-4A1B-9D7E-93A4F5DFA6FFQ49543652-D96D9179-9103-4FEE-8E58-8E29AADBC880Q51202779-8A464C44-17BE-4FA2-8BDE-62C712AEADC2Q51223787-0400AFB0-6E05-40F5-AC4B-DA42FEFB551FQ51525281-E9F60851-0D58-48F9-BC75-1DF38C38FB22Q55280873-35832E79-C1F2-4781-9C81-99EE0F3B50FAQ56660366-55AA5EF2-32EB-47B3-AEC5-6CFE7DE04067Q57795843-27FC45A6-687C-44DF-AB46-F4B6B011AE59Q57795910-C1CD7CF3-8A65-4E32-A79B-D43CAAF1DB63Q57795917-8E4B97C0-F8AB-4C21-A10E-AA35F3CEDADAQ58300300-F60A0225-D6F5-47AD-BDCF-0A3D8103198EQ58445298-38659173-EC43-40DD-AC4A-6D2B25AC7121Q58485257-B92D5E20-0ABE-4EE4-80EB-EA1AC5ADB459Q58485298-D0E58C0D-B630-4831-857F-8E23DCA93F34Q59137590-DDF9AADE-537F-4F56-8C55-B05BEE01D93BQ59137599-0267BA80-D7B1-4416-96A4-D633AE30C6CD
P2860
Energy Landscape of Fullerene Materials: A Comparison of Boron to Boron Nitride and Carbon
description
2011 nî lūn-bûn
@nan
2011 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2011 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2011年の論文
@ja
2011年論文
@yue
2011年論文
@zh-hant
2011年論文
@zh-hk
2011年論文
@zh-mo
2011年論文
@zh-tw
2011年论文
@wuu
name
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@ast
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@en
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@nl
type
label
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@ast
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@en
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@nl
prefLabel
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@ast
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@en
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@nl
P2093
P2860
P3181
P1476
Energy Landscape of Fullerene ...... on to Boron Nitride and Carbon
@en
P2093
Alexander Willand
Maximilian Amsler
Stefan Goedecker
P2860
P3181
P356
10.1103/PHYSREVLETT.106.225502
P407
P577
2011-06-01T00:00:00Z