Electrocatalysis in alkaline media and alkaline membrane-based energy technologies
Hydrogen energy-based electrochemical energy conversion technologies offer the promise
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …
of enabling a transition of the global energy landscape from fossil fuels to renewable energy …
Computational methods in heterogeneous catalysis
The unprecedented ability of computations to probe atomic-level details of catalytic systems
holds immense promise for the fundamentals-based bottom-up design of novel …
holds immense promise for the fundamentals-based bottom-up design of novel …
Microkinetic modeling: a tool for rational catalyst design
AH Motagamwala, JA Dumesic - Chemical Reviews, 2020 - ACS Publications
The design of heterogeneous catalysts relies on understanding the fundamental surface
kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help …
kinetics that controls catalyst performance, and microkinetic modeling is a tool that can help …
Zeolite‐Encaged Pd–Mn Nanocatalysts for CO2 Hydrogenation and Formic Acid Dehydrogenation
A CO2‐mediated hydrogen storage energy cycle is a promising way to implement a
hydrogen economy, but the exploration of efficient catalysts to achieve this process remains …
hydrogen economy, but the exploration of efficient catalysts to achieve this process remains …
Kinetically Controlled Synthesis of Pd–Cu Janus Nanocrystals with Enriched Surface Structures and Enhanced Catalytic Activities toward CO2 Reduction
Bimetallic nanocrystals often outperform their monometallic counterparts in catalysis as a
result of the electronic coupling and geometric effect arising from two different metals. Here …
result of the electronic coupling and geometric effect arising from two different metals. Here …
Metal-support interactions in heterogeneous catalytic hydrogen production of formic acid
S Bai, A Jia, J Song, S Cao, N Wang, X Liu - Chemical Engineering Journal, 2023 - Elsevier
Hydrogen (H 2) is regarded as a novel energy carrier with huge development potential, and
it will be essential in future clean energy systems. Given the existing challenges in direct H 2 …
it will be essential in future clean energy systems. Given the existing challenges in direct H 2 …
Perspective on computational reaction prediction using machine learning methods in heterogeneous catalysis
Heterogeneous catalysis plays a significant role in the modern chemical industry. Towards
the rational design of novel catalysts, understanding reactions over surfaces is the most …
the rational design of novel catalysts, understanding reactions over surfaces is the most …
Potential Safety Hazards Associated with Using N,N-Dimethylformamide in Chemical Reactions
Q Yang, M Sheng, Y Huang - Organic Process Research & …, 2020 - ACS Publications
N, N-Dimethylformamide (DMF) is frequently used as a solvent because of its unique
physical properties that allow it to solubilize both organic and inorganic substances. It has …
physical properties that allow it to solubilize both organic and inorganic substances. It has …
Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the In Situ Nature of the Active Site in Catalysis
S Bhandari, S Rangarajan… - Accounts of Chemical …, 2020 - ACS Publications
Conspectus Microkinetic modeling based on density functional theory (DFT) derived
energetics is important for addressing fundamental questions in catalysis. The quantitative …
energetics is important for addressing fundamental questions in catalysis. The quantitative …
Insights into the oxygen evolution reaction on graphene-based single-atom catalysts from first-principles-informed microkinetic modeling
Single-atom transition metals embedded in nitrogen-doped graphene have emerged as
promising electrocatalysts due to their high activity and low material cost. These materials …
promising electrocatalysts due to their high activity and low material cost. These materials …