Selecting boron fullerenes by cage-doping mechanisms

Probing the Synthesis of Two-Dimensional Boron by First-Principles Computations

(2013) Yuanyue Liu et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Two-Dimensional Boron Monolayer Sheets

(2012) Xiaojun Wu et al.   ACS Nano

Pseudo-Jahn–Teller origin of icosahedral instability in boron buckyball, B80

(2012) Jules Tshishimbi Muya et al.   CHEMICAL PHYSICS LETTERS

B80 and B101–103 clusters: Remarkable stability of the core-shell structures established by validated density functionals

(2012) Fengyu Li et al.   JOURNAL OF CHEMICAL PHYSICS

Heptagons in C68: Impact on Stabilities, Growth, and Exohedral Derivatization of Fullerenes

(2012) Wei-Wei Wang et al.   Journal of Physical Chemistry C

Polymorphism of Two-Dimensional Boron

(2012) Evgeni S. Penev et al.   NANO LETTERS

Ring currents in boron and carbon buckyballs, B80 and C60

(2011) David E. Bean et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Deciphering the mystery of hexagon holes in an all-boron graphene α-sheet

(2011) Timur R. Galeev et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Low-energy boron fullerenes: Role of disorder and potential synthesis pathways

(2011) Pascal Pochet et al.   PHYSICAL REVIEW B

Energy Landscape of Fullerene Materials: A Comparison of Boron to Boron Nitride and Carbon

(2011) Sandip De et al.   PHYSICAL REVIEW LETTERS

Icosahedral B12-containing core–shell structures of B80

(2010) Hui Li et al.   CHEMICAL COMMUNICATIONS

Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet

(2010) Rajendra R. Zope et al.   CHEMICAL PHYSICS LETTERS

Metal-like single crystalline boron nanotubes: synthesis and in situ study on electric transport and field emission properties

(2010) Fei Liu et al.   JOURNAL OF MATERIALS CHEMISTRY

B80and Other Medium-Sized Boron Clusters: Core−Shell Structures, Not Hollow Cages

(2010) Jijun Zhao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A concentric planar doubly π-aromatic B19− cluster

(2010) Wei Huang et al.   Nature Chemistry

The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes

(2010) Antonio Rodríguez-Fortea et al.   Nature Chemistry

Structural and electronic stability of a volleyball-shapedB80fullerene

(2010) Xiao-Qian Wang   PHYSICAL REVIEW B

Highly stable and symmetric boron caged B@Co12@B80 core-shell cluster

(2009) Jian-Tao Wang et al.   APPLIED PHYSICS LETTERS

Endohedral Metalloborofullerenes La2@B80and Sc3N@B80: A Density Functional Theory Prediction†

(2009) Peng Jin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantum Monte Carlo studies of covalent and metallic clusters: Accuracy of density functional approximations

(2009) C. R. Hsing et al.   PHYSICAL REVIEW B

Self-doping in boron sheets from first principles: A route to structural design of metal boride nanostructures

(2009) Hui Tang et al.   PHYSICAL REVIEW B

Boron fullerenes: FromB80to hole doped boron sheets

(2009) Rajendra R. Zope et al.   PHYSICAL REVIEW B

Daubechies wavelets as a basis set for density functional pseudopotential calculations

(2008) Luigi Genovese et al.   JOURNAL OF CHEMICAL PHYSICS

Probing Properties of Boron α-Tubes byAb InitioCalculations

(2008) Abhishek K. Singh et al.   NANO LETTERS

Family of boron fullerenes: General constructing schemes, electron counting rule, andab initiocalculations

(2008) Qing-Bo Yan et al.   PHYSICAL REVIEW B

Stuffing Improves the Stability of Fullerenelike Boron Clusters

(2008) Dasari L. V. K. Prasad et al.   PHYSICAL REVIEW LETTERS

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS