Carvalho Alexandra, Costa Mariana C F, Marangoni Valeria S, Ng Pei Rou, Nguyen Thi Le Hang, Castro Neto Antonio H
Centre for Advanced 2D Materials, National University of Singapore, Singapore 117542, Singapore.
Materials Science and Engineering, National University of Singapore, Singapore 117575, Singapore.
Nanomaterials (Basel). 2021 Feb 24;11(3):560. doi: 10.3390/nano11030560.
We show that the degree of oxidation of graphene oxide (GO) can be obtained by using a combination of state-of-the-art ab initio computational modeling and X-ray photoemission spectroscopy (XPS). We show that the shift of the XPS C1s peak relative to pristine graphene, ΔEC1s, can be described with high accuracy by ΔEC1s=A(cO-cl)2+E0, where c0 is the oxygen concentration, A=52.3 eV, cl=0.122, and E0=1.22 eV. Our results demonstrate a precise determination of the oxygen content of GO samples.
我们表明，通过结合最先进的从头算计算模型和X射线光电子能谱（XPS），可以获得氧化石墨烯（GO）的氧化程度。我们表明，XPS C1s峰相对于原始石墨烯的位移ΔEC1s，可以用ΔEC1s = A(cO - cl)2 + E0高精度地描述，其中c0是氧浓度，A = 52.3 eV，cl = 0.122，E0 = 1.22 eV。我们的结果证明了对GO样品中氧含量的精确测定。
