TY - JOUR
T1 - Density functional theory in surface chemistry and catalysis
AU - Nørskov, Jens Kehlet
AU - Abild-Pedersen, Frank
AU - Studt, Felix
AU - Bligaard, Thomas
PY - 2011
Y1 - 2011
N2 - Recent advances in the understanding of reactivity trends for chemistry at transition-metal surfaces have enabled in silico design of heterogeneous catalysts in a few cases. The current status of the field is discussed with an emphasis on the role of coupling theory and experiment and future challenges.
AB - Recent advances in the understanding of reactivity trends for chemistry at transition-metal surfaces have enabled in silico design of heterogeneous catalysts in a few cases. The current status of the field is discussed with an emphasis on the role of coupling theory and experiment and future challenges.
U2 - 10.1073/pnas.1006652108
DO - 10.1073/pnas.1006652108
M3 - Journal article
C2 - 21220337
SN - 0027-8424
VL - 108
SP - 937
EP - 943
JO - Proceedings of the National Academy of Sciences of the United States of America
JF - Proceedings of the National Academy of Sciences of the United States of America
IS - 3
ER -