@inproceedings{bibcite_1074,
  author = {Alexandra B. Santos-Putungan and Nata{\v s}a Stoji{\'c} and Nadia Binggeli and Francis N. C. Paraan},
  title = {Investigation of neutral B$_{1}$$_{3}$ clusters: A density functional theory study},
  abstract = {<p>We investigate the electronic structure of neutral boron<sub>13</sub> (B<sub>13</sub>) clusters using spin-polarized density functional theory (DFT). The stable B<sub>13</sub> cluster is observed to have a two-dimensional planar structure. Energy levels diagram shows that it has a highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gap of 0.36 eV. Analysis of the electronic charge density of the B<sub>13</sub> cluster reveals that most of the electrons are shared between B atoms and are located at the edges, where the HOMO and LUMO are also localized. Our results indicate that the most reactive part of the cluster is along its edges.</p>},
  year = {2016},
  booktitle = {Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Congress},
  pages = {SPP-2016-PA-18},
  month = {18{\textendash}21 Aug 2016},
  address = {University of the Philippines Visayas, Iloilo City},
  url = {https://proceedings.spp-online.org/article/view/SPP-2016-PA-18},
}