Browsing Engineering (Faculty of) by Subject "DFT"
Now showing items 1-3 of 3
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Novel Copolymers Based on Methoxythiophene-Flanked Diketopyrrolopyrrole for Wearable Resistive Sensors
(University of Waterloo, 2024-04-25)The exposure that firefighters experience due to their occupation has recently been identified by the World Health Organization as a Group 1 carcinogen. One factor is colorless, odorless, toxic gases in “warm zones” near ... -
PtSe2 and HfSe2: New Transition Metal Dischalcogenides for Switching Device Applications
(University of Waterloo, 2018-08-03)Recently, silicon-based complementary metal-oxide-semiconductor (CMOS) technology has been struggling in keeping the continuous improvement predicted by Moore’s Law. Hence, significant efforts have been made to find ... -
Theoretical Investigation of Catalytic Methane Cracking and Carbon Nanotube Growth
(University of Waterloo, 2014-08-14)Methane cracking on transition metal surfaces is a catalytically important reaction. It is a key step to produce hydrogen and carbonaceous nanomaterials, such as carbon nanotubes (CNT) or carbon nanofibers (CNF), which ...