Bridging the complexity gap in computational heterogeneous catalysis with machine learning

T Mou, HS Pillai, S Wang, M Wan, X Han… - Nature Catalysis, 2023 - nature.com
Heterogeneous catalysis underpins a wide variety of industrial processes including energy
conversion, chemical manufacturing and environmental remediation. Significant advances …

Zeolite fixed metal nanoparticles: New perspective in catalysis

Y Wang, C Wang, L Wang, L Wang… - Accounts of Chemical …, 2021 - ACS Publications
Conspectus Loading metal nanoparticles on the surface of solid supports has emerged as
an efficient route for the preparation of heterogeneous catalysts. Notably, most of these …

Overall photosynthesis of H2O2 by an inorganic semiconductor

T Liu, Z Pan, JJM Vequizo, K Kato, B Wu… - Nature …, 2022 - nature.com
Artificial photosynthesis of H2O2 using earth-abundant water and oxygen is a promising
approach to achieve scalable and cost-effective solar fuel production. Recent studies on this …

Strategies to activate inert nitrogen molecules for efficient ammonia electrosynthesis: current status, challenges, and perspectives

Y Ren, C Yu, X Tan, Q Wei, Z Wang, L Ni… - Energy & …, 2022 - pubs.rsc.org
The electrocatalytic N2 reduction reaction (NRR) offers an alternative to the traditional Haber–
Bosch (H–B) process for the synthesis of ammonia (NH3) and has received a surge of …

Recent developments of microenvironment engineering of single‐atom catalysts for oxygen reduction toward desired activity and selectivity

L Li, B Huang, X Tang, Y Hong, W Zhai… - Advanced Functional …, 2021 - Wiley Online Library
Oxygen reduction reaction (ORR) is an essential process for sustainable energy supply and
sufficient chemical production in modern society. Single‐atom catalysts (SACs) exhibit great …

Toward efficient single-atom catalysts for renewable fuels and chemicals production from biomass and CO2

Y Lu, Z Zhang, H Wang, Y Wang - Applied Catalysis B: Environmental, 2021 - Elsevier
Transformation of biomass and CO 2 into renewable value-added chemicals and fuels has
been identified as a promising strategy to fulfill high energy demands, lower greenhouse …

Effect of Pd Coordination and Isolation on the Catalytic Reduction of O2 to H2O2 over PdAu Bimetallic Nanoparticles

T Ricciardulli, S Gorthy, JS Adams… - Journal of the …, 2021 - ACS Publications
The direct synthesis of hydrogen peroxide (H2+ O2→ H2O2) may enable low-cost H2O2
production and reduce environmental impacts of chemical oxidations. Here, we synthesize a …

Solvent gaming chemistry to control the quality of halide perovskite thin films for photovoltaics

X Huang, G Deng, S Zhan, F Cao, F Cheng… - ACS Central …, 2022 - ACS Publications
Research on solvent chemistry, particularly for halide perovskite intermediates, has been
advancing the development of perovskite solar cells (PSCs) toward commercial …

Improving hydrothermal stability of supported metal catalysts for biomass conversions: a review

J Huo, JP Tessonnier, BH Shanks - ACS Catalysis, 2021 - ACS Publications
Catalyst stability is one of the greatest challenges faced for the utilization of heterogeneous
catalysts in the development of biomass conversion to chemicals and fuels. As many …

Influence of solvent structure and hydrogen bonding on catalysis at solid–liquid interfaces

DS Potts, DT Bregante, JS Adams, C Torres… - Chemical Society …, 2021 - pubs.rsc.org
Solvent molecules interact with reactive species and alter the rates and selectivities of
catalytic reactions by orders of magnitude. Specifically, solvent molecules can modify the …