Hydrogen-Bonded Solids for Fuel Cell Applications

1. Hydrogen-Bonded Solids for Fuel Cell Applications S. Haile; DMR-0435221 • Hydrogen is attractive for fuel cells because • It can be readily made via hydrolysis using any other energy input • It produces only H2O as the local by-product of energy consumption • Its electrochemical conversion at ambient temperatures is rapid • But, hydrogen storage and delivery remain daunting challenges • Alcohols may be attractive alternatives • Liquid fuels have high energy density and are easy to store and transport • But they require moderate temperature fuel cells for electrocatalysis • Alcohol powered solid acid fuel cells provide record power ouput

2. Hydrogen-Bonded Solids for Fuel Cell Applications S. Haile; DMR-0435221 MH2PO4componds – there had been a debate in the literature as to whether these materials undergo a true sold-solid structural phase transition to a high conductivity phase, or if increases in conductivity were an artifact of thermal dehydration. Resolving this question is essential to establishing models of the transition, for ultimately predicting new compounds with improved properties. Our high pressure studies have put the question to rest – CsH2PO4 and the analogous compounds of Rb and K all undergo a superprotonic transition. CsH(PO3H) – our studies open up an interesting new class of compounds, in which the low symmetry PO3H anion behaves essentially identically to the PO4 and SO4 anions. From a technological perspective, this is relevant because PO3H, unlike SO4, is not susceptible to reduction under fuel cell (anode) conditions. CsHSO4 – we have undertaken a completely ab initio computational study of the phase transition of CsHSO4. We are able to correctly predict the monoclinic to tetragonal transition, although the temperature of the transition is somewhat too high. This opens up another methodology for predicting transitions in new, perhaps even hypothesized compounds, that may have superior properties to CsHSO4. All Ph.D. graduate dates are anticipated, not actual NMAB Report on “Materials for the Defense-After-Next”, participant in subpanel on “Energy and Power Materials”, due for release in October of 2002.

3. Research Based Education Graduate Student Researchers Lisa Cowan, PhD, ’06 (Hispanic) Mikhail Kislitsyn (Russian), PhD, ’07 Kenji Sasaki, PhD, ‘07 Undergraduate ResearchersSummer, 2005 Melody Grubbs (African-American) Chaila Morales (Hispanic) Dawit Haile (Ethiopian) Student awards Melody Grubbs awarded Mellon Fellowship Outreach Activities Start-up company founded: Superprotonics, Inc. With former graduate students: Calum Chisholm, Dane Boysen $4m in venture capital investments Advisory Board Membership Mellon Fellows Program Freshman Summer Institute Student mentoring Grad student Kenji Sasaki serves as mentor for Lakewood High School, participating in the Internet Science and Technology Fair National Service Nat. Mat. Adv. Board Broader Impacts S. Haile; DMR-0435221