• Adsorption of CO2 and Facile Carbonate Formation on BaZrO3 Surfaces 

      Polfus, Jonathan M.; Yildiz, Bilge; Tuller, Harry; Bredesen, Rune (Journal article; Peer reviewed, 2018)
      The adsorption of CO2 and CO on BaZrO3 (0 0 1) was investigated by first-principles calculations with a focus on the BaO termination. CO2 was found to strongly chemisorb on the surface by formation of carbonate species ...