463 citations · 2.4k across the 28 of their papers we have counts for
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cond-mat.mtrl-sci2008★ 251 cited
Prediction of Half Metallicity along the Edge of Boron Nitride Zigzag Nanoribbons
Fawei Zheng, Gang Zhou, Zhirong Liu +4
First-principles calculations reveal half metallicity in zigzag boron nitride (BN) nanoribbons (ZBNNRs). When the B edge, but not the N edge, of the ZBNNR is passivated, despite be…
cond-mat.mtrl-sci2008
Adsorption of gas molecules on graphene nanoribbons and its implication for nano-scale molecule sensor
Bing Huang, Zuanyi Li, Zhirong Liu +5
We have studied the adsorption of gas molecules (CO, NO, NO2, O2, N2, CO2, and NH3) on graphene nanoribbons (GNRs) using first principles methods. The adsorption geometries, adsorp…