X-ray diffraction patterns of graphite oxide(GO)are theoretically simulated as a function of the displacements of carbon atoms using the Debye–Waller factor in terms of the Warren–Bodenstein equation.The results dem...X-ray diffraction patterns of graphite oxide(GO)are theoretically simulated as a function of the displacements of carbon atoms using the Debye–Waller factor in terms of the Warren–Bodenstein equation.The results demon-strate that GO has the turbostratically stacked structure.The high order(001)peaks gradually disappear with the increase in atomic thermal vibrations along𝑑c-axis while the(ℎk0)ones weaken for the vibrations along a-axis.When the displacement deviation𝑣ua𝑏=0.015nm and𝑣𝑑uc=0.100nm the computed result is consistent with the experimental measurements.展开更多
基金Supported by the Innovation Foundation of the Ministry of Science and Technology of China under Grant No 10C26224302621.
文摘X-ray diffraction patterns of graphite oxide(GO)are theoretically simulated as a function of the displacements of carbon atoms using the Debye–Waller factor in terms of the Warren–Bodenstein equation.The results demon-strate that GO has the turbostratically stacked structure.The high order(001)peaks gradually disappear with the increase in atomic thermal vibrations along𝑑c-axis while the(ℎk0)ones weaken for the vibrations along a-axis.When the displacement deviation𝑣ua𝑏=0.015nm and𝑣𝑑uc=0.100nm the computed result is consistent with the experimental measurements.
