2 papers
cond-mat.mes-hall2010
Realization of high-capacity hydrogen storage using carbon atomic chains: the role of terminations
Chun-Sheng Liu, Hui An, Zhi Zeng
The capacity of carbon atomic chains with different terminations for hydrogen storage is studied using first-principles density functional theory calculations. Unlike the physisorp…
cond-mat.mtrl-sci2010
Organometallic Wires Constructed from Transitional Metals and Anthracene: A Theoretical Study
Xianlong Wang, Xiaohong Zheng, Zhi Zeng
The properties of organometallic wires [TM2(Ant)] constructed with transitional metals (TM = Sc, Ti, V, Cr, Mn and Fe) and anthracene (Ant) are investigated by first-principles cal…