Engineering topics
Publications and source records attributed to Hupp, J. T..
To grow films of Cu 2 O, bis-(dimethylamino-2-propoxide)Cu( ii ), or Cu(dmap), is used as an atomic layer deposition precursor using only water vapor as a co-reactant.
A CD-MOF is prepared from amino-functionalized (blue moon) γ-CD, which permanently captures CO 2 as a carbamate (red moon).
Here, the synthesis of molybdenum oxo-amidinate complexes MoO 2 (R 2 AMD) 2 [AMD = N,N'-di-R-acetamidinate; R = Cy (2; cyclohexyl) and iPr (3)], and their characterization by 1 H, 13 C NMR, X-ray diffraction, and thermogravimetric analysis is reported. Quartz-crystal microbalance and X-ray photoelectron spectroscopic studies confirm that 3 is an improved ALD precursor versus the R = t-butyl derivative for MoO 3 film growth. Complex 3 is accessible in higher yields (80%+), is easier to handle without mass loss, and in conjunction with O 3 as the second ALD reagent, yields nitride-free MoO 3 films.
Discovery of new adsorbent materials with a high CO 2 working capacity could help reduce CO 2 emissions from newly commissioned power plants using precombustion carbon capture. High-throughput computational screening efforts can accelerate the discovery of new adsorbents but sometimes require significant computational resources to explore the large space of possible materials. Here in this paper we report the in silico discovery of high-performing adsorbents for precombustion CO 2 capture by applying a genetic algorithm to efficiently search a large database of metal-organic frameworks (MOFs) for top candidates. High-performing MOFs identified from the in silico search were synthesized and activated and show a high CO 2 working capacity and a high CO 2 /H 2 selectivity. One of the synthesized MOFs shows a higher CO 2 working capacity than any MOF reported in the literature under the operating conditions investigated here.