Breaking linear scaling relationships with transition metal carbides†
Hector
Prats 
*a
and
Michail
Stamatakis
a
*a
and
Michail
Stamatakis
a
Abstract
Transition metal carbides (TMCs) are proposed as catalysts and supports for small metal particles to replace expensive late transition metals as heterogeneous catalysts. High-throughput screening based on density functional theory shows that TMCs break the limitations that the linear scaling relations impose to transition metals.
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