Computational investigation on the endohedral borofullerenes M@B40 (M = Sc, Y, La)

Understanding Boron through Size-Selected Clusters: Structure, Chemical Bonding, and Fluxionality

(2014) Alina P. Sergeeva et al.   ACCOUNTS OF CHEMICAL RESEARCH

Endohedral and Exohedral Metalloborospherenes: M@B40(M=Ca, Sr) and M&B40(M=Be, Mg)

(2014) Hui Bai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Carbon Dioxide Capture and Gas Separation on B80 Fullerene

(2014) Qiao Sun et al.   Journal of Physical Chemistry C

The B35 Cluster with a Double-Hexagonal Vacancy: A New and More Flexible Structural Motif for Borophene

(2014) Wei-Li Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Density functional theory study of transition metals dopedB80fullerene

(2014) Jianguang Wang et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY

Boron puts new ball into play

(2014)   Nano Today

B38: an all-boron fullerene analogue

(2014) Jian Lv et al.   Nanoscale

Theoretical prediction of ozone sensing using pristine and endohedral metalloboron B80 fullerenes

(2014) Zabiollah Mahdavifar et al.   SENSORS AND ACTUATORS B-CHEMICAL

Planar hexagonal B36 as a potential basis for extended single-atom layer boron sheets

(2014) Zachary A. Piazza et al.   Nature Communications

A disk-aromatic bowl cluster B30: toward formation of boron buckyballs

(2013) Truong Ba Tai et al.   CHEMICAL COMMUNICATIONS

Endohedral Fullerenes

(2013) Alexey A. Popov et al.   CHEMICAL REVIEWS

Carbon atoms trapped in cages: Metal carbide clusterfullerenes

(2013) Peng Jin et al.   COORDINATION CHEMISTRY REVIEWS

Selecting boron fullerenes by cage-doping mechanisms

(2013) Paul Boulanger et al.   JOURNAL OF CHEMICAL PHYSICS

A combined photoelectron spectroscopy and ab initio study of the quasi-planar B24− cluster

(2013) Ivan A. Popov et al.   JOURNAL OF CHEMICAL PHYSICS

A new hole density as a stability measure for boron fullerenes

(2013) Serkan Polad et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

B14: An all-boron fullerene

(2012)   JOURNAL OF CHEMICAL PHYSICS

A photoelectron spectroscopy and ab initio study of B21−: Negatively charged boron clusters continue to be planar at 21

(2012) Zachary A. Piazza et al.   JOURNAL OF CHEMICAL PHYSICS

Probing the structures of neutral boron clusters using infrared/vacuum ultraviolet two color ionization: B11, B16, and B17

(2012) Constantin Romanescu et al.   JOURNAL OF CHEMICAL PHYSICS

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

B22– and B23–: All-Boron Analogues of Anthracene and Phenanthrene

(2012) Alina P. Sergeeva et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

All-boron analogues of aromatic hydrocarbons: B17− and B18−

(2011) Alina P. Sergeeva et al.   JOURNAL OF CHEMICAL PHYSICS

Encapsulation of Small Base Molecules and Tetrahedral/Cubane-Like Clusters of Group V Atoms in the Boron Buckyball: A Density Functional Theory Study

(2011) Jules Tshishimbi Muya et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural Stability of Boron Clusters with Octahedral and Tetrahedral Symmetries

(2011) Wataru Hayami et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The leapfrog principle for boron fullerenes: a theoretical study of structure and stability of B112

(2011) Jules Tshishimbi Muya 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

The symmetry of the boron buckyball and a related boron nanotube

(2010) N. Gonzalez Szwacki et al.   CHEMICAL PHYSICS LETTERS

Boron fullerenes with 32–56 atoms: Irregular cage configurations and electronic properties

(2010) Lu Wang et al.   CHEMICAL PHYSICS LETTERS

Snub boron nanostructures: Chiral fullerenes, nanotubes and planar sheet

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

Tuning electronic and magnetic properties of endohedral Co@B80 and exohedral Co-B80 metallofullerenes by positioning Co atom

(2010) J. L. Li et al.   JOURNAL OF APPLIED PHYSICS

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

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

Ab Initio Prediction of Amorphous B84

(2010) Bo Shang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Unusually Stable B100Fullerene, Structural Transitions in Boron Nanostructures, and a Comparative Study of α- and γ-Boron and Sheets

(2010) C. Özdoğan et al.   Journal of Physical Chemistry C

A concentric planar doubly π-aromatic B19− cluster

(2010) Wei Huang et al.   Nature Chemistry

Structural and electronic stability of a volleyball-shapedB80fullerene

(2010) Xiao-Qian Wang   PHYSICAL REVIEW B

Ni@B80: A single molecular magnetic switch

(2009) J. L. Li et al.   APPLIED PHYSICS LETTERS

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

Iron Endohedral-Doped Boron Fullerene: A Potential Single Molecular Device with Tunable Electronic and Magnetic Properties

(2009) J. L. Li et al.   Journal of Physical Chemistry C

Hydrogen Storage on Metal-Coated B80 Buckyballs with Density Functional Theory

(2009) Guangfen Wu et al.   Journal of Physical Chemistry C

Ca-Coated Boron Fullerenes and Nanotubes as Superior Hydrogen Storage Materials

(2009) Ming Li et al.   NANO LETTERS

Boron fullerenes B32+8k with four-membered rings and B32 solid phases: geometrical structures and electronic properties

(2009) Xian-Lei Sheng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Boron fullerenes: FromB80to hole doped boron sheets

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

The competition of double-, four-, and three-ring tubular B3n (n=8–32) nanoclusters

(2008) Fu-Yang Tian et al.   JOURNAL OF CHEMICAL PHYSICS

Alkali-Metal-Doped B80 as High-Capacity Hydrogen Storage Media

(2008) Yuanchang Li et al.   Journal of Physical Chemistry C

A Photoelectron Spectroscopic and Theoretical Study of B16−and B162−: An All-Boron Naphthalene

(2008) Alina P. Sergeeva et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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