Qingfeng Zeng

发表

Discovering low-permittivity materials: Evolutionary search for MgAl2O4 polymorphs

Q. Zeng, A. Oganov, Congwei Xie, 2014 .

Evolutionary search for new high-k dielectric materials: methodology and applications to hafnia-based oxides.

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2013, Acta crystallographica. Section C, Structural chemistry.

Systematic search for low-enthalpy sp3 carbon using evolutionary metadynamics

Artem R. Oganov, Qiang Zhu, Qingfeng Zeng, 2012, 1203.0706.

Effects of carbon vacancies on the structures, mechanical properties, and chemical bonding of zirconium carbides: a first-principles study.

Q. Zeng, A. Oganov, T. T. Debela, 2015, Physical chemistry chemical physics : PCCP.

First-principles study on the structural and electronic properties of clean and atomic oxygen adsorbed ZrC(001) surface

Hui Li, Qingfeng Zeng, Q. Zeng, 2015 .

First-principles study of structural, mechanical, and thermodynamic properties of cubic Y2O3 under high pressure

Q. Zeng, Xian Zhang, Wenhua Gui, 2017 .

Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study.

Qingfeng Zeng, Artem R Oganov, Gilles Frapper, 2014, Physical chemistry chemical physics : PCCP.

Pressure-driven formation and stabilization of superconductive chromium hydrides

Litong Zhang, A. Oganov, G. Frapper, 2015, Scientific Reports.

Additive manufacturing alumina components with lattice structures by digital light processing technique

Q. Zeng, Kang Guan, Jiantao Liu, 2019 .

Exploring the Real Ground-State Structures of Molybdenum Dinitride

Litong Zhang, A. Oganov, G. Frapper, 2016 .

Prediction of stable hafnium carbides: Stoichiometries, mechanical properties, and electronic structure

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2013, 1309.6516.

3D printed ceramic slurries with improved solid content through optimization of alumina powder and coupling agent

Yongsheng Liu, He Li, Yansong Liu, 2021 .

A Novel Phase of Li15Si4 Synthesized under Pressure

Yi Cui, Artem R. Oganov, Qingfeng Zeng, 2015 .

Thermodynamic study on the chemical vapor deposition of boron nitride from the BCl3–NH3–H2 system

Kehe Su, Q. Zeng, Lai-fei Cheng, 2014, Theoretical Chemistry Accounts.

First-principles study of the properties of Li, Al and Cd doped Mg alloys

Kehe Su, Q. Zeng, Yanli Wang, 2014 .

Thermodynamics investigation of the gas-phase reactions in the chemical vapor deposition of silicon borides with BCl3–SiCl4–H2 precursors

Kehe Su, Q. Zeng, Lai-fei Cheng, 2008, Structural Chemistry.

Microstructure and mechanical properties of 3D printed ceramics with different vinyl acetate contents

Q. Zeng, Jing-jing Liang, Yongsheng Liu, 2021, Rare Metals.

Monte Carlo simulation of polycrystalline microstructures and finite element stress analysis

Zhi-Qiang Feng, Lai-fei Cheng, Kang Guan, 2014 .

Exploration of stable compounds, crystal structures, and superconductivity in the Be-H system

Litong Zhang, A. Oganov, G. Frapper, 2014, 1407.2000.

Effect of sintering temperature in argon atmosphere on microstructure and properties of 3D printed alumina ceramic cores

Q. Zeng, Yongsheng Liu, Zhi-Gang Lu, 2020, Journal of Advanced Ceramics.

Effect of C/B ratio in reactants on low-pressure CVD boron-doped carbon deposited from a BCl3–C3H6–H2 mixture

Lai-fei Cheng, Litong Zhang, Yongdong Xu, 2009 .

Transition metal atoms pathways on rutile TiO2 (110) surface: distribution of Ti3+ states and evidence of enhanced peripheral charge accumulation.

Yongqing Cai, Zhaoqiang Bai, Y. Feng, 2012, The Journal of chemical physics.

Discovering novel VC1−x compounds through hybrid first-principles and evolutionary algorithms

Q. Zeng, Congwei Xie, Duan Li, 2016 .

Infrared reflectance spectrum of BN calculated from first principles

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2007, 1108.0154.

The Influence of Si3N4w Volume Fraction on the Microstructure and Properties of Si3N4w/Si3N4 Composites via CVI Technique

Q. Zeng, Wei Yue, Yongsheng Liu, 2020, Frontiers in Materials.

Crystal structure and elastic properties of ZrB compared with ZrB2: A first-principles study

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2010 .

Microstructure and properties of 3D-printed alumina ceramics with different heating rates in vacuum debinding

Q. Zeng, Jing-jing Liang, Yongsheng Liu, 2020, Rare Metals.

Thermodynamic study of the chemical vapor deposition in the SiCl3CH3–NH3–H2 system

Kehe Su, Q. Zeng, Lai-fei Cheng, 2015 .

First-principles calculation of interfacial stability, energy, electronic properties, ideal tensile strength and fracture toughness of SiC/BN interface

Zhi-Qiang Feng, Q. Zeng, Pinggen Rao, 2021, Applied Physics A.

Effects of N on Electronic and Mechanical Properties of H-Type SiC

Lai-fei Cheng, Litong Zhang, Yunfang Liu, 2015 .

Structural, elastic and electronic properties of transition metal carbides TMC (TM=Ti, Zr, Hf and Ta) from first-principles calculations

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2011 .

Adsorption of atomic and molecular oxygen on 3C-SiC(111) and ( 1 ¯ 1 ¯ 1 ¯ ) surfaces: A first-principles study

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2009 .

Investigation of thermodynamic properties of gaseous SiC(X 3Π and a 1Σ) with accurate model chemistry calculations

Kehe Su, Xin Wang, Q. Zeng, 2008 .

Uniform design and regression analysis of LPCVD boron carbide from BCl3-CH4-H2 system

Qingfeng Zeng, Laifei Cheng, Siwei Li, 2009 .

Impedance matching optimization of SiCf/Si3N4–SiOC composites for excellent microwave absorption properties

Fan Yang, Q. Zeng, Lai-fei Cheng, 2021, Ceramics International.

Thermodynamics of the gas-phase reactions in chemical vapor deposition of silicon carbide with methyltrichlorosilane precursor

Qingfeng Zeng, Yongdong Xu, Laifei Cheng, 2008 .

First-principles study of electronic structure and optical properties of Er:Lu2O3

Q. Zeng, Xian Zhang, S. Gao, 2020 .

Sintering reaction and microstructure of MAl (M = Ni, Fe, and Mg) nanoparticles through molecular dynamics simulation

Q. Zeng, Yuwen Zhang, Ming Gao, 2020 .

Structural, phonon, mechanical, optical, and thermodynamic properties of stable β-La2S3 from first-principles calculations

Q. Zeng, Xian Zhang, Wenhua Gui, 2017 .

Effect of debinding temperature under an argon atmosphere on the microstructure and properties of 3D-printed alumina ceramics

Q. Zeng, Yongsheng Liu, Zhi-Gang Lu, 2020 .

Surface relaxation and oxygen adsorption behavior of different SiC polytypes: a first-principles study

Lai-fei Cheng, Litong Zhang, G. Vignoles, 2010, Journal of physics. Condensed matter : an Institute of Physics journal.

Numerical Analysis of the Microstructure-based Model for Layered Composites via MC and FEM Approaches

Zhi-Qiang Feng, Q. Zeng, Lai-fei Cheng, 2016 .

Influence of debinding holding time on mechanical properties of 3D-printed alumina ceramic cores

Q. Zeng, Jinguo Li, Yongsheng Liu, 2020 .

Influence of sintering temperature and CVI time on mechanical properties of 3D-printed alumina ceramics

Jinguo Li, Yongsheng Liu, He Li, 2021 .

First-principles study of Zr–N crystalline phases: phase stability, electronic and mechanical properties

Q. Zeng, Litong Zhang, H. Niu, 2017 .

Thermodynamics of the Production of Condensed Phases in the CVD of Methyltrichlorosilane Pyrolysis

Kehe Su, Xin Wang, Q. Zeng, 2009 .

Vibrational and dielectric properties of magnesium aluminate spinel: A first-principles study

Zhi-Qiang Feng, Q. Zeng, Lai-fei Cheng, 2011 .

Estimating thermal conductivities and elastic moduli of porous ceramics using a new microstructural parameter

Zhi-Qiang Feng, Jianqing Wu, Pinggen Rao, 2019, Journal of the European Ceramic Society.

Emergence of novel hydrogen chlorides under high pressure.

A. Oganov, G. Frapper, Shuyin Yu, 2015, Physical chemistry chemical physics : PCCP.

Influence of grain boundary and grain size on the mechanical properties of polycrystalline ceramics: Grain‐scale simulations

Zhi-Qiang Feng, Q. Zeng, Pinggen Rao, 2020 .

Effect of zirconia content and particle size on the properties of 3D‐printed alumina‐based ceramic cores

Q. Zeng, Yongsheng Liu, He Li, 2021, Journal of the American Ceramic Society.

First-principles study of elastic, electronic, and optical properties of α-TeO2 under pressure

Xian Zhang, S. Gao, Shiyu Wang, 2019, Journal of Alloys and Compounds.

First-principles study of the electronic structure and optical properties of Eu2+–M (M = Mn2+, Mg2+, Li+) co-doped γ-AlON phosphor

Q. Zeng, Xian Zhang, Z. Li, 2019, Ceramics International.

Evaluation of the Thermodynamic Data of CH3SiCl3 Based on Quantum Chemistry Calculations

Kehe Su, Q. Zeng, Lai-fei Cheng, 2006 .

Novel compounds in the Zr-O system, their crystal structures and mechanical properties.

Q. Zeng, A. Oganov, Xinfeng Li, 2015, Physical chemistry chemical physics : PCCP.

Decomposition reaction rate of BCl3–CH4–H2 in the gas phase

Kehe Su, Yan Liu, Q. Zeng, 2015, Theoretical Chemistry Accounts.

Thermodynamic properties of the most stable gaseous small silicon-carbon clusters in their ground states

Kehe Su, Xin Wang, Q. Zeng, 2008 .

Reactivity of H2O and the Si-terminated surface of silicon carbide studied with ONIOM method

Kehe Su, Yan Liu, Q. Zeng, 2012, Theoretical Chemistry Accounts.

An ONIOM study of H2O interacting with the C-terminated surface of silicon carbide

Xin Wang, Yan Liu, Lai-fei Cheng, 2010 .

Prediction of Permeability for Chemical Vapor Infiltration

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2013 .

Modeling of pore structure evolution within the fiber bundle during chemical vapor infiltration process

Zhi-Qiang Feng, Q. Zeng, Lai-fei Cheng, 2011 .

Modeling the effects of reactor wall reaction on isothermal CVI process of C/SiC composites

Lai-fei Cheng, Litong Zhang, Yongdong Xu, 2007 .

Numerical simulation for fabrication of C/SiC composites in isothermal CVI reactor

Qingfeng Zeng, Yongdong Xu, Laifei Cheng, 2006 .

Numerical Simulation of Effect of Methyltrichlorosilane Flux on Isothermal Chemical Vapor Infiltration Process of C/SiC Composites

Lai-fei Cheng, Litong Zhang, Yongdong Xu, 2006 .

Comparative modeling of gas transport in isothermal chemical vapor infiltration process of C/SiC composites

Lai-fei Cheng, Litong Zhang, Yongdong Xu, 2006 .

Modeling of Pore Structure Evolution Between Bundles of Plain Woven Fabrics During Chemical Vapor Infiltration Process: The Influence of Preform Geometry

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2013 .

Theoretical Investigation for the Active-to-Passive Transition in the Oxidation of Silicon Carbide

Q. Zeng, Litong Zhang, G. Vignoles, 2008 .

Thermodynamic Calculation of HfB2 Volatility Diagram

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2011 .

First-principles study on predicting the crystal structures, mechanical properties and electronic structures of HfCxN1-x

Kang Guan, Jiantao Liu, Changhao Yang, 2020 .

First-principles study of the structural, vibrational, phonon and thermodynamic properties of transition metal carbides TMC (TM = Ti, Zr and Hf)

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2011 .

First-principles study of the dielectric properties and infrared reflectance spectrum of Y2O3

Q. Zeng, Wenchuan Wang, Xian Zhang, 2010 .

Rational Synthesis of Calcium Phosphates with Variable Ca/P Ratios Based on Thermodynamic Calculations

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2008 .

A multiscale model for CVD growth of silicon carbide

Jianqing Wu, Yongsheng Liu, Kang Guan, 2021 .

Adsorption on 3C-SiC surfaces in chemical vapor deposition process of CH3SiCl3–H2 system: a first-principles study

Kang Guan, Xiaohui Yang, Jiantao Liu, 2023, Physica Scripta.

Numerical modeling of SiC by low-pressure chemical vapor deposition from methyltrichlorosilane

Lai-fei Cheng, Jianqing Wu, Kang Guan, 2020, Chinese Journal of Chemical Engineering.

Modified Wagner model for the active-to-passive transition in the oxidation of Si3N4

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2008 .

Initial decomposition of methyltrichlorosilane in the chemical vapor deposition of silicon-carbide

Kehe Su, Xin Wang, Yan Liu, 2011 .

Effect of burying sintering on the properties of ceramic cores via 3D printing

Q. Zeng, Yongsheng Liu, Zhi-Gang Lu, 2020 .

Preparation and oxidation resistance of 2D C/SiC composites modified by partial boron carbide self-sealing matrix

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2008 .

Emergence of Novel Polynitrogen Molecule-like Species, Covalent Chains, and Layers in Magnesium–Nitrogen MgxNy Phases under High Pressure

Litong Zhang, A. Oganov, G. Frapper, 2017 .

Machine learning and a computational fluid dynamic approach to estimate phase composition of chemical vapor deposition boron carbide

Q. Zeng, Kang Guan, Jiantao Liu, 2020, Journal of Advanced Ceramics.

Sandwich structure SiCf/Si3N4–SiOC–Si3N4 composites for high-temperature oxidation resistance and microwave absorption

Fan Yang, Q. Zeng, Lai-fei Cheng, 2022, Ceramics International.

Thermal Treatment of γ-Al2O3 for the Preparation of Stereolithography 3D Printing Ceramic Slurries

Q. Zeng, Jing-jing Liang, Yongsheng Liu, 2019, Front. Mater..

B 98 , 014108 ( 2018 ) Novel high-pressure calcium carbonates

A. Oganov, Congwei Xie, Xiao Dong, 2018 .

First-principles study of vibrational and dielectric properties ofβ−Si3N4

Q. Zeng, Lai-fei Cheng, Litong Zhang, 2006, 1107.3213.

Microstructure-based multiphysics modeling for semiconductor integration and packaging

P. Conway, Q. Zeng, A. Dinsdale, 2014 .

Gas-phase reaction thermodynamics in preparation of pyrolytic carbon by propylene pyrolysis

Kehe Su, Xin Wang, Q. Zeng, 2007 .

Formation of Stoichiometric CsFn Compounds

Q. Zeng, A. Oganov, Qiang Zhu, 2014, Scientific Reports.

Vibrational and dielectric properties of AlN:a first- principles study

Q. Zeng, Xian Zhang, Wenhua Gui, 2016 .

High throughput exploration of ZrxSi1 − xO2 dielectrics by evolutionary first-principles approaches

Q. Zeng, A. Oganov, Jin Zhang, 2014 .

First-principles prediction of ferromagnetism in transition-metal doped monolayer AlN

Congwei Xie, Heng Zhang, Shiyao Wang, 2018, Superlattices and Microstructures.

A unified view of materials design: Two-element principle

Qingfeng Zeng, Yongdong Xu, Laifei Cheng, 2009 .

Fracture Behavior Simulation of 3D-C/SiC Under Stress and in Oxidation Environment

Lai-fei Cheng, Litong Zhang, X. Luan, 2003 .

Modeling the Oxidation and Corrosion Behavior of 3D Carbon Fiber Reinforced SiC Matrix Composites from 400 to 1500 Degrees C

Lai-fei Cheng, Litong Zhang, Yongdong Xu, 2004 .

The rate-limiting step in the thermal oxidation of silicon carbide

Qingfeng Zeng, Gerard L. Vignoles, Laifei Cheng, 2010 .

Reaction paths of BCl3 + CH4 + H2 in the chemical vapor deposition process

Kehe Su, Yan Liu, Q. Zeng, 2012, Structural Chemistry.

Reaction rate of propene pyrolysis

Xin Wang, Yanli Wang, Yan Liu, 2011, J. Comput. Chem..

Reaction pathways of propene pyrolysis

Xin Wang, Yan Liu, Qingfeng Zeng, 2010, J. Comput. Chem..