Alternate biobased route to produce δ-Decalactone: Elucidating the role of solvent and hydrogen evolution in catalytic transfer hydrogenation

MI Alam, TS Khan, MA Haider - ACS Sustainable Chemistry & …, 2018 - ACS Publications
A widely used food and flavor compound, δ-decalactone (DDL), was produced from catalytic
transfer hydrogenation of 6-amyl-α-pyrone (6PP), which is a biomass-based platform …

Rational design of catalysts with earth‐abundant elements

G Xu, C Cai, W Zhao, Y Liu… - Wiley Interdisciplinary …, 2023 - Wiley Online Library
Catalysis has played a crucial role in energy sustainability, environment control, and
chemical production, while the design of high‐performance catalysts is a key scientific …

High-throughput screening of alloy catalysts for dry methane reforming

YX Yu, J Yang, KK Zhu, ZJ Sui, D Chen, YA Zhu… - ACS …, 2021 - ACS Publications
Dry methane reforming (DMR) is a promising technique aiming at converting two major
greenhouse gases into useful chemical feedstocks. A major challenge in the …

Upgrading of bio-oil from biomass pyrolysis: current status and future development

QT Trinh, A Banerjee, KB Ansari, DQ Dao, A Drif… - Biorefinery of Alternative …, 2020 - Springer
For the sustainable production of fuel, biomass pyrolysis processes have appeared as a
promising alternative for the efficient utilization of biomass. The liquid product obtained from …

In silico high throughput screening of bimetallic and single atom alloys using machine learning and ab initio microkinetic modelling

S Saxena, TS Khan, F Jalid, M Ramteke… - Journal of Materials …, 2020 - pubs.rsc.org
The advent of machine learning (ML) techniques in solving problems related to materials
science and chemical engineering is driving expectations to give faster predictions of …

Machine learning enabled screening of single atom alloys: predicting reactivity trend for ethanol dehydrogenation

A Kumar, J Iyer, F Jalid, M Ramteke, TS Khan… - …, 2022 - Wiley Online Library
A machine learning (ML) approach implementing the gradient boosting regressor (GBR)
algorithm is applied to predict the binding energies of oxygen (EO) and carbon (EC) atoms …

Stability of the ketyl radical as a descriptor in the electrochemical coupling of benzaldehyde

J Anibal, A Malkani, B Xu - Catalysis Science & Technology, 2020 - pubs.rsc.org
Electroreductive coupling is an emerging electrochemical pathway for the renewable
upgrading of CO2, CO and biomass derived oxygenates. In particular, electrochemical …

Superior FeNi3-FeOx/Ni-foam catalyst for gas-phase hydrogenation of dimethyl oxalate to ethanol

J Zhu, G Zhao, W Sun, Q Nie, S Wang, Q Xue… - Applied Catalysis B …, 2020 - Elsevier
A high-performance Ni-foam-structured FeNi 3-FeO x nanocomposite catalyst is developed
for the ethanol (EtOH) synthesis from syngas via gas-phase dimethyl oxalate (DMO) …

Revisit the role of metal dopants in enhancing the selectivity of Ag-catalyzed ethylene epoxidation: optimizing oxophilicity of reaction site via cocatalytic mechanism

H Xu, L Zhu, Y Nan, Y **e, D Cheng - ACS Catalysis, 2021 - ACS Publications
The pristine transition metals (TMs) offer limited choices for high-performance
heterogeneous catalysts because they are usually restricted in less optimal regions on the …

Highly efficient alloyed NiCu/Nb 2 O 5 catalyst for the hydrodeoxygenation of biofuel precursors into liquid alkanes

P Wang, Y **g, Y Guo, Y Cui, S Dai, X Liu… - Catalysis Science & …, 2020 - pubs.rsc.org
Hydrodeoxygenation (HDO) is a crucial process for the synthesis of biofuels from renewable
biomass. Here, several bimetallic Ni–M/Nb2O5 catalysts (M= Fe, Co, Cu) were synthesized …