Yingzhe Yu

Key Laboratory For Green Chemical Technology Of Ministry Of Education, R&D Center For Petrochemical Technology
Tianjin, 300072, China

Last Updated: 09/26/2026

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Found 10 publications

Al distribution and structural stability of H-BEA zeolites at different Si/Al ratios and temperatures: a first-principles study.

Al distribution and structural stability of H-BEA zeolites at different Si/Al ratios and temperatures: a first-principles study.

Journal: Physical chemistry chemical physics : PCCP

Published: September 04, 2023

Mechanistic insight into methane dry reforming over cobalt: a density functional theory study.

Mechanistic insight into methane dry reforming over cobalt: a density functional theory study.

Journal: Physical chemistry chemical physics : PCCP

Published: November 24, 2020

Comparison of catalytic performance of metal-modified SAPO-34: a molecular simulation study.

Comparison of catalytic performance of metal-modified SAPO-34: a molecular simulation study.

Journal: Journal of molecular modeling

Published: March 08, 2019

A DFT study on Zr-SBA-15 catalyzed conversion of ethanol to 1,3-butadiene.

A DFT study on Zr-SBA-15 catalyzed conversion of ethanol to 1,3-butadiene.

Journal: Physical chemistry chemical physics : PCCP

Published: May 01, 2018

DFT study of CO2 conversion on InZr3(110) surface.

DFT study of CO2 conversion on InZr3(110) surface.

Journal: Physical chemistry chemical physics : PCCP

Published: October 24, 2017

A DFT study on the aldol condensation reaction on MgO in the process of ethanol to 1,3-butadiene: understanding the structure-activity relationship.

A DFT study on the aldol condensation reaction on MgO in the process of ethanol to 1,3-butadiene: understanding the structure-activity relationship.

Journal: Physical chemistry chemical physics : PCCP

Published: September 15, 2017

Theoretical insights into the effect of terrace width and step edge coverage on CO adsorption and dissociation over stepped Ni surfaces.

Theoretical insights into the effect of terrace width and step edge coverage on CO adsorption and dissociation over stepped Ni surfaces.

Journal: Physical chemistry chemical physics : PCCP

Published: July 01, 2017

Investigation on the conversion of ethylene to ethylidyne on Pt(100) and Pd(100) using density functional theory.

Investigation on the conversion of ethylene to ethylidyne on Pt(100) and Pd(100) using density functional theory.

Journal: Physical chemistry chemical physics : PCCP

Published: October 07, 2016

Direct versus hydrogen-assisted CO dissociation over stepped Ni and Ni3Fe surfaces: a computational investigation.

Direct versus hydrogen-assisted CO dissociation over stepped Ni and Ni3Fe surfaces: a computational investigation.

Journal: Physical chemistry chemical physics : PCCP

Published: October 20, 2015

Self-assembly mechanism of 1,3:2,4-di(3,4-dichlorobenzylidene)-D-sorbitol and control of the supramolecular chirality.

Self-assembly mechanism of 1,3:2,4-di(3,4-dichlorobenzylidene)-D-sorbitol and control of the supramolecular chirality.

Journal: Langmuir : the ACS journal of surfaces and colloids

Published: October 16, 2014

Showing 1-10 of 10

Last Updated: 09/26/2026