A combined approach of molecular modeling and experiment has been applied to optimize the electrical conductivity of LaCrO3 by screening all group IIa elements that may partially substitute La. Electronic structures of both doped and undoped LaCrO3 have been calculated and a semiconducting state for M2+-doped LaCrO3 has been demonstrated. Both theoretical and experimental results reveal that electrical conductivity of LaCrO3 is increased by doping Ca, Sr, and Ba and reaches a maximum value with Ca. The mechanism of doping behavior for all group IIa elements is discussed which may be of interest to electrode design for solid oxide fuel cells.

Rajesh Bashyam and Piotr Zelenay

Vojislav Stamenkovic, Bongjin Simon Mun, Karl J. J. Mayrhofer, Philip N. Ross, Nenad M. Markovic, Jan Rossmeisl, Jeff Greeley, Jens K. Nørskov

Interview on Radio Singapore with Nigel Hart and Stephen Green

Jianhua Yanga, Jiřina Čermákováb, Petr Uchytilb, Christof Hamela and Andreas Seidel-Morgenstern

Tsutomu Ioroi, Koji Kuraoka, Kazuaki Yasuda, Tetsuo Yazawa, and Yoshinori Miyazaki

Changjun Zhang, Matthew Dyer, and Ali Alavi

Translation of the AIST press release on the 22 January, 2003