Thermodynamics and kinetics of elementary reaction steps on late transition metal catalysts, and using them to search for better catalysts

Meeting Program — November 2013

Charles T. Camp­bell
Depart­ments of Chem­istry and of Chem­i­cal Engi­neer­ing
Uni­ver­si­ty of Wash­ing­ton
Seat­tle, WA 98195–1700

Abstract — A sur­vey of exper­i­men­tal and the­o­ret­i­cal results con­cern­ing the ther­mo­dy­nam­ics and kinet­ics of sur­face chem­i­cal reac­tions of impor­tance in late tran­si­tion met­al catal­y­sis for ener­gy tech­nol­o­gy will be pre­sent­ed. Top­ics include: (1) calori­met­ric mea­sure­ments of the adsorp­tion ener­gies of small mol­e­cules and mol­e­c­u­lar frag­ments on sin­gle crys­tal sur­faces, and their com­par­i­son to DFT results; (2) new mea­sure­ments of the entropies of adsor­bates and the trends they fol­low, and (3) new ways to esti­mate pref­ac­tors in the rate con­stants for ele­men­tary steps in sur­face reac­tions. We will also dis­cuss how to use these togeth­er with DFT cal­cu­la­tions and/or ele­men­tary-step rate mea­sure­ments to build micro­ki­net­ic mod­els for mul­ti-step cat­alyt­ic reac­tions. Final­ly, we will dis­cuss a method for ana­lyz­ing these to quan­ti­fy the extent to which each ele­men­tary step and inter­me­di­ate con­trols the net rate, and describe how one can use this to define the key descrip­tors that can be used for com­pu­ta­tion­al search­es to dis­cov­er bet­ter cat­a­lyst mate­ri­als.
Charles_Campbell2-1024x853Biog­ra­phy — Charles T. Camp­bell is the Rabi­novitch Endowed Chair in Chem­istry at the Uni­ver­si­ty of Wash­ing­ton, where he is also Adjunct Pro­fes­sor of Chem­i­cal Engi­neer­ing and of Physics. He is the author of over 270 pub­li­ca­tions on sur­face chem­istry, catal­y­sis and biosens­ing. He is an elect­ed Fel­low of both the ACS and the AAAS, and Mem­ber of the Wash­ing­ton State Acad­e­my of Sci­ences. He received the Arthur W. Adam­son Award of the ACS and the ACS Award for Col­loid or Sur­face Chem­istry, the Ger­hard Ertl Lec­ture Award, the Robert Bur­well Award/Lectureship of the North Amer­i­can Catal­y­sis Soci­ety, the Ipati­eff Lec­ture­ship at North­west­ern Uni­ver­si­ty and an Alexan­der von Hum­boldt Research Award. He served as Chair, Chair-Elect, Vice-Chair and Trea­sur­er of the Col­loid and Sur­face Chem­istry Divi­sion of the ACS. He served as found­ing Co-Direc­tor and Direc­tor of the Uni­ver­si­ty of Washington’s Cen­ter for Nan­oTech­nol­o­gy, and as Edi­tor-in-Chief of the jour­nal Sur­face Sci­ence for ten years. He is cur­rent­ly Edi­tor-in-Chief of Sur­face Sci­ence Reports, and serves on the Edi­to­r­i­al Boards of the Jour­nal of Phys­i­cal Chem­istry and Catal­y­sis Reviews and the Sci­en­tif­ic Advi­so­ry Board of Catal­y­sis Let­ters and Top­ics in Catal­y­sis. He received his B.S. in Chem­i­cal Engi­neer­ing (1975) and his Ph.D. in Phys­i­cal Chem­istry (1979, under J. M. White) from the Uni­ver­si­ty of Texas at Austin, and then did research in Ger­many under Ger­hard Ertl (2007 Nobel Prize Win­ner) through 1980.