(4bv) Electrochemically Upgrading Hydrocarbons: From Mechanisms to Applications

C-H bond transformation is crucial in the chemical industry. For instance, C-H functionalization converts simple hydrocarbons like methane, ethane, and benzene into valuable products such as alcohols, ketones, acids, and amines, upgrading their market potentials. Polyester production also relies on oxidizing C-H bonds in substrates like para-xylene and cyclohexanone. However, traditional methods often suffer from low activity and selectivity due to the low polarity of C-H bonds and the lack of efficient catalysts. Harsh conditions, including the use of corrosive solvents (e.g., acetic acid, sulfuric acid), high temperatures, elevated pressures, and strong oxidants (e.g., potassium permanganate, chromium trioxide), are often required. Additionally, the products of these transformations are usually more reactive than the feedstock substrates, leading to unwanted overoxidation.

During my Ph.D., I designed and validated efficient electrocatalysts for CO₂ reduction using a combination of theoretical calculations and electrochemical measurements. I also developed an efficient thermochemical system for the partial oxidation of ethane to produce ethylene and acetic acid under room temperature and ambient pressure. In situ spectroscopic techniques were employed to understand the reaction mechanism. Building on this methodology, my future plans include utilizing density functional theory (DFT) calculations to predict and design efficient electrocatalysts for C-H bond transformation. In situ spectroscopy techniques, such as surface-enhanced infrared and Raman spectroscopy, will be used to study key reaction intermediates. Density functional theory calculations will be employed with spectroscopy to gain insights into the reaction mechanisms. Electrochemical transformation of C-H bonds offers a green approach for functionalizing relatively inert C-H bonds, leading to a sustainable, carbon-neutral production of key feedstocks/commodity chemicals. This also paves the way for selective C-H bond functionalization in future electrosynthesis of fine chemicals for pharmaceutical and agricultural applications. Moreover, when coupled with cathodic CO₂ electroreduction, we could achieve commodity chemical production using only CO₂, water and electricity.

Teaching Interests:

I have a strong interest in teaching fundamental chemical engineering subjects in addition to subjects that are closely related to my research interests. Courses that I'm particularly interested and qualified in teaching (undergraduate and graduate level) include:

• Electrochemistry
• Transport phenomena
• Reaction engineering
• Thermodynamics and thermostatistics
• Quantum and computational chemistry

Selected Publications: