Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory

Phosphorene: An Unexplored 2D Semiconductor with a High Hole Mobility

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HONPAS: A linear scaling open-source solution for large system simulations

(2014) Xinming Qin et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Electronic structure and aromaticity of large-scale hexagonal graphene nanoflakes

(2014) Wei Hu et al.   JOURNAL OF CHEMICAL PHYSICS

Phosphorene Nanoribbons, Phosphorus Nanotubes, and van der Waals Multilayers

(2014) Hongyan Guo et al.   Journal of Physical Chemistry C

Bilayer Phosphorene: Effect of Stacking Order on Bandgap and Its Potential Applications in Thin-Film Solar Cells

(2014) Jun Dai et al.   Journal of Physical Chemistry Letters

Phosphorene as a Superior Gas Sensor: Selective Adsorption and Distinct I–V Response

(2014) Liangzhi Kou et al.   Journal of Physical Chemistry Letters

Strain and Orientation Modulated Bandgaps and Effective Masses of Phosphorene Nanoribbons

(2014) Xiaoyu Han et al.   NANO LETTERS

Black phosphorus field-effect transistors

(2014) Likai Li et al.   Nature Nanotechnology

Ab initiostudies of thermodynamic and electronic properties of phosphorene nanoribbons

(2014) Ashwin Ramasubramaniam et al.   PHYSICAL REVIEW B

Reliability of layered neural oscillator networks

(2013) Kevin. K. Lin et al.   Communications in Mathematical Sciences

\mathcal{O}(N) methods in electronic structure calculations

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Adaptive local basis set for Kohn–Sham density functional theory in a discontinuous Galerkin framework I: Total energy calculation

(2011) Lin Lin et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations

(2011) T. Auckenthaler et al.   PARALLEL COMPUTING

Linear scaling electronic structure calculations with numerical atomic basis set

(2010) Honghui Shang et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

The electronic properties of graphene

(2009) A. H. Castro Neto et al.   REVIEWS OF MODERN PHYSICS