257 citations · 447 across the 3 of their papers we have counts for
3 papers
Thermochemistry of Alane Complexes for Hydrogen Storage: A Theoretical and Experimental Comparison
Bryan M. Wong, David Lacina, Ida M. B. Nielsen +2
Knowledge of the relative stabilities of alane (AlH3) complexes with electron donors is essential for identifying hydrogen storage materials for vehicular applications that can be…
Cobalt-Porphyrin Catalyzed Electrochemical Reduction of Carbon Dioxide in Water II: Mechanism from First Principles
Kevin Leung, Ida M. B. Nielsen, Na Sai +2
We apply first principles computational techniques to analyze the two-electron, multi-step, electrochemical reduction of CO2 to CO in water using cobalt porphyrin as a catalyst. De…
Elucidating the Bimodal Acid-base Behavior of the Water-silica Interface from First Principles
Kevin Leung, Ida M. B. Nielsen, Louise J. Criscenti
Understanding the acid-base behavior of silica surfaces is critical for many nanoscience and bio-nano interface applications. Silanol groups (SiOH) on silica surfaces exhibit two a…