☆ 4.7 Article

Mechanism Insights into the Decarbonylation of Furfural to Furan over Ni/MgO: A Molecular Simulation Study

ENERGY & FUELS (2023)

Related references

Note: Only part of the references are listed.

Article Chemistry, Physical

Multi-sites synergistic modulation in oxygen reduction electrocatalysis

Menghui Chen et al.

Summary: This study prepared a single-atom Fe-N-C catalyst through high-temperature pyrolysis, which contains various active sites like pyridinic-N-C, Fe-N-4, and pore defects. Density functional theory (DFT) calculations suggest that these multiple active sites synergistically function to enable high-efficiency ORR electrocatalysis. The optimal Fe-N-C catalyst shows superior ORR activity compared to commercial Pt/C catalyst.

JOURNAL OF COLLOID AND INTERFACE SCIENCE (2023)

Add to Collection

Article Chemistry, Physical

Theoretical study on the hydrogenation of furfural for furfuryl alcohol production over low Ni modified Cu catalysts

Hao-Ze Chen et al.

Summary: Cu-based catalysts are efficient for furfural (FF) hydrogenation. The doping of Ni can enhance the catalyst's adsorption capacity and H2 dissociation ability, leading to improved hydrogenation activity.

APPLIED SURFACE SCIENCE (2023)

Add to Collection

Article Green & Sustainable Science & Technology

Enhancement of aromatics production via cellulose fast pyrolysis over Ru modified hierarchical zeolites

Jun Zhang et al.

Summary: In this study, Ru modified hierarchical zeolites were developed for cellulose fast pyrolysis, showing improved efficiency in aromatics production. The comprehensive characterization of the catalysts revealed their essential structural properties, and the presence of active Ru-0 centers facilitated key reactions. Among the screened catalysts, 2Ru-MZSM exhibited higher aromatics yield.

RENEWABLE ENERGY (2022)

Add to Collection

Article Materials Science, Multidisciplinary

Adjusting the structural, electronic and optical properties of CdS by the introduction of Be: A DFT study

Chengzheng Sun et al.

Summary: This study effectively regulates the optical properties of CdS by introducing Be in the IIA family. The results have guiding significance for the design of CdS-based electronic and optoelectronic devices.

MATERIALS TODAY COMMUNICATIONS (2022)

Add to Collection

Article Chemistry, Applied

Recent developments on the zeolites catalyzed polyolefin plastics pyrolysis

Haoran Yuan et al.

Summary: This review summarizes the recent advancements in catalytic pyrolysis of polyolefin plastics using various zeolite-based materials. It focuses on the production of aromatic hydrocarbons from zeolite-catalyzed polyolefin plastics pyrolysis and discusses the characteristics and distribution of the pyrolysis products. Additionally, it systematically discusses the deactivation mechanism of zeolites, coking inhibition, catalyst regeneration, and the influence of impurities. The challenge and outlook in the sustainable development of catalytic pyrolysis of polyolefin plastics into high-value products are also presented.

FUEL PROCESSING TECHNOLOGY (2022)

Add to Collection

Article Chemistry, Analytical

Municipal sludge derived solid acids for levoglucosenone production via cellulose fast pyrolysis

Haoran Yuan et al.

Summary: A series of municipal sludge derived solid acids were developed for the production of levoglucosenone (LGO) via cellulose fast pyrolysis. The synthesized solid acids showed high selectivity for LGO formation and can be reused for multiple cycles without significant decline in performance.

JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS (2022)

Add to Collection

Article Biochemistry & Molecular Biology

Uranium-Doped Zinc, Copper, and Nickel Oxides for Enhanced Catalytic Conversion of Furfural to Furfuryl Alcohol: A Relativistic DFT Study

Shuang Li et al.

Summary: This study investigates the catalytic activity of uranium-doped transition metal oxides towards the conversion of furfural to furfuryl alcohol using relativistic density functional theory. The results show that uranium doping significantly enhances the adsorption of furfural, with ZnO-U exhibiting the best catalytic performance.

MOLECULES (2022)

Add to Collection

Article Energy & Fuels

Exploring Guest-Host Interactions in Gas Hydrates: Insights from Quantum Mechanics

Hao Chen et al.

Summary: This study systematically investigated the characteristics of host-guest interactions in gas hydrates using quantum mechanics calculations. It highlighted the significant impact of electrostatic interactions on stability, with molecules with higher maximum ESP values showing higher stabilization. The findings suggest that van der Waals volumes/surface areas and V-s,V-max values of guest molecules are key factors for gas hydrate stability.

ENERGY & FUELS (2021)

Add to Collection

Article Energy & Fuels

Effect of the Pyrrolic Nitrogen Functional Group in the Selective Adsorption of CO2: GCMC, MD, and DFT Studies

Ali Ekramipooya et al.

Summary: The presence of the pyrrolic nitrogen functional group was found to be responsible for the selective adsorption of CO2. The adsorption quantities and thermodynamic parameters indicated a strong interaction between CO2 and NH, with temperature playing a significant role in the adsorption process.

ENERGY & FUELS (2021)

Add to Collection

Article Chemistry, Physical

Mechanochemical in-situ incorporation of Ni on MgO/MgH2 surface for the selective O-/C-terminal catalytic hydrogenation of CO2 to CH4

Haipeng Chen et al.

Summary: The study presents a Ni-incorporated MgO/MgH2 material synthesized via a facile mechanochemical ball-milling method for thermo-catalytic CO2 methanation. The material achieves high catalytic performance in converting CO2 to CH4 with superior selectivity at low temperature. This selective hydrogenation process can potentially inspire the design of catalysts for the conversion of CO2 to value-added chemicals.

JOURNAL OF CATALYSIS (2021)

Add to Collection

Article Energy & Fuels

Direct Conversion of Biomass Carbohydrates to Platform Chemicals: 5-Hydroxymethylfurfural (HMF) and Furfural

Ashutosh Mittal et al.

ENERGY & FUELS (2020)

Add to Collection

Retraction Energy & Fuels

撤稿声明: Dynamic Simulation and Mass Transfer Study of Carbon Dioxide Capture Using Biochar and MgO-Impregnated Activated Carbon in a Swing Adsorption Process (Retraction of Vol 33, Pg 5452, 2019)

Saeed Ghanbari et al.

ENERGY & FUELS (2020)

Add to Collection

Article Chemistry, Physical

A theoretical study on CO2 electrolysis through synergistic manipulation of Ni/Mn doping and oxygen vacancies in La(Sr)FeO3

Bohua Ren et al.

JOURNAL OF CATALYSIS (2020)

Add to Collection

Article Chemistry, Physical

Single to Multiple Site Behavior of Metallocenes through C-H Activation for Olefin Polymerization: A Mechanistic Insight from DFT

Jugal Kumawat et al.

ACS CATALYSIS (2020)

Add to Collection

Article Energy & Fuels

A Combined Experimental and DFT Investigation of Selective Hydrodeoxygenation of Guaiacol over Bimetallic Carbides

Chi-Cong Tran et al.

ENERGY & FUELS (2020)

Add to Collection

Article Chemistry, Applied

Multi sites vs single site for catalytic combustion of methane over Co3O4(110): A first-principles kinetic Monte Carlo study

Wende Hu et al.

CHINESE JOURNAL OF CATALYSIS (2020)

Add to Collection

Article Chemistry, Physical

Efficient one-pot valorization of ethanol to 1-butanol over an earth-abundant Ni-MgO catalyst under mild conditions

Hao Wang et al.

SUSTAINABLE ENERGY & FUELS (2020)

Add to Collection

Article Chemistry, Multidisciplinary

Selective Production of Furan from Gas-Phase Furfural Decarbonylation on Ni-MgO Catalysts

Carmen P. Jimenez-Gomez et al.

ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2019)

Add to Collection

Article Chemistry, Physical

Pd-catalyzed decarbonylation of furfural: Elucidation of support effect on Pd size and catalytic activity using in-situ XAFS

Tamao Ishida et al.

JOURNAL OF CATALYSIS (2019)

Add to Collection

Article Chemistry, Multidisciplinary

Theoretical Study of the Mechanism of Furfural Conversion on the NiCuCu(111) Surface

Yun Shi

ACS OMEGA (2019)

Add to Collection

Article Chemistry, Physical

A theoretical insight into furfural conversion catalyzed on the Ni(111) surface

Guoqing Ren et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)

Add to Collection

Article Chemistry, Multidisciplinary

The selective hydrogenation of furfural over intermetallic compounds with outstanding catalytic performance

Yusen Yang et al.

GREEN CHEMISTRY (2019)

Add to Collection

Article Energy & Fuels

Acid-Catalyzed Ring Opening of Furan in Aqueous Solution

Xiao Liang et al.

ENERGY & FUELS (2018)

Add to Collection

Article Engineering, Environmental

Molecular-level insights into mercury removal mechanism by pyrite

Yingju Yang et al.

JOURNAL OF HAZARDOUS MATERIALS (2018)

Add to Collection

Review Chemistry, Multidisciplinary

How Catalysts and Experimental Conditions Determine the Selective Hydroconversion of Furfural and 5-Hydroxymethylfurfural

Shuo Chen et al.

CHEMICAL REVIEWS (2018)

Add to Collection

Review Energy & Fuels

Zeolite Materials for Biomass Conversion to Biofuel

Carlo Perego et al.

ENERGY & FUELS (2017)

Add to Collection

Article Chemistry, Physical

Transition Metal-Doped Metal Oxide Nanocrystals: Efficient Substitutional Doping through a Continuous Growth Process

Adam W. Jansons et al.

CHEMISTRY OF MATERIALS (2017)

Add to Collection

Article Chemistry, Physical

Direct decarbonylation of furfural to furan: A density functional theory study on Pt-graphene

Mehmet Ferdi Fellah

APPLIED SURFACE SCIENCE (2017)

Add to Collection

Article Chemistry, Physical

Vapor phase hydrogenation of furfural over nickel mixed metal oxide catalysts derived from layered double hydroxides

Taylor P. Sulmonetti et al.

APPLIED CATALYSIS A-GENERAL (2016)

Add to Collection

Article Chemistry, Physical

Role of surface synergistic effect on the performance of Ni-based hydrotalcite catalyst for highly efficient hydrogenation of furfural

Marimuthu Manikandan et al.

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2016)

Add to Collection

Article Chemistry, Physical

Catalytic conversion of furfural to industrial chemicals over supported Pt and Pd catalysts

S. Bhogeswararao et al.

JOURNAL OF CATALYSIS (2015)

Add to Collection

Article Chemistry, Physical

ELECTRONIC STRUCTURES AND THE STABILITY OF MgO SURFACE: DENSITY FUNCTIONAL STUDY

Dian-Na Zhang et al.

SURFACE REVIEW AND LETTERS (2015)

Add to Collection

Article Chemistry, Physical

Exploring Furfural Catalytic Conversion on Cu(111) from Computation

Yun Shi et al.

ACS CATALYSIS (2015)

Add to Collection

Article Chemistry, Applied

Carbon Dioxide Reforming of Methane over Nickel Catalyst Supported on MgO(111) Nanosheets

Luming Zhang et al.

TOPICS IN CATALYSIS (2014)

Add to Collection

Article Chemistry, Multidisciplinary

Conversion of furfural into cyclopentanone over Ni-Cu bimetallic catalysts

Yanliang Yang et al.

GREEN CHEMISTRY (2013)

Add to Collection

Article Chemistry, Physical

Vacancy-Driven Surface Segregation in Ni x Mg1-x O(100) Solid Solutions from First Principles Calculations

Daniel Torres et al.

CATALYSIS LETTERS (2012)

Add to Collection

Article Chemistry, Multidisciplinary

High Structure Sensitivity of Vapor-Phase Furfural Decarbonylation/Hydrogenation Reaction Network as a Function of Size and Shape of Pt Nanoparticles

Vladimir V. Pushkarev et al.

NANO LETTERS (2012)

Add to Collection

Article Chemistry, Physical

DFT Study of Furfural Conversion to Furan, Furfuryl Alcohol, and 2-Methylfuran on Pd(111)

Vassili Vorotnikov et al.

ACS CATALYSIS (2012)

Add to Collection

Article Agricultural Engineering

Influence of inorganic salts on the primary pyrolysis products of cellulose

Pushkaraj R. Patwardhan et al.

BIORESOURCE TECHNOLOGY (2010)

Add to Collection

Article Energy & Fuels

Lignocellulosic Biomass Conversion by Sequential Combination of Organic Acid and Base Treatments

Ungkana Wongsiriwan et al.

ENERGY & FUELS (2010)

Add to Collection

Article Chemistry, Physical

Durable Ni/MgO catalysts for CO2 reforming of methane: Activity and metal-support interaction

Yu-He Wang et al.

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2009)

Add to Collection

Article Chemistry, Physical

Catalytic dissociation of N2O on pure and Ni-doped MgO surfaces

A Scagnelli et al.

SURFACE SCIENCE (2006)

Add to Collection

Article Chemistry, Physical

Potassium improved stability of Ni/MgO in the steam reforming of ethanol for the production of hydrogen for MCFC

F Frusteri et al.

JOURNAL OF POWER SOURCES (2004)

Add to Collection

© Peeref 2019-2024. All rights reserved.