Effect of O–O bonds on p-type conductivity in Ag-doped ZnO twin grain boundaries*

Project supported by the National Natural Science Foundation of China (Grant No. 11364009) and Natural Science Foundation of Guangxi Province, China (Grant No. 2014GXNSFFA118004).

Wu Jingjing1, 2, Tang Xin1, 2, †, Long Fei1, 2, Tang Biyu3
       

(color online) The isosurface (0.001 e/Å) of charge density of the O–O antibonding state in GB7a. Red, blue and silver spheres designate O, Zn and Ag atoms, respectively.