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Chemistry (Weinheim an Der Bergstrasse, Germany)|May 12, 2007
Chemical anisotropies of carbon nanotubes and fullerenes caused by the curvature directivityJunqian Li, Guixiao Jia, Yongfan Zhang
Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 23, 2011
Structural and electronic properties of lutecia from first principlesLixin Ning, Yongfan Zhang, Zhifeng Cui
RSC Advances|May 6, 2022
The mechanism for CO<sub>2</sub> reduction over Fe-modified Cu(100) surfaces with thermodynamics and kinetics: a DFT studyMei Qiu, Yi Li, Yongfan Zhang
Sensors (Basel, Switzerland)|August 18, 2017
Insight into the Mechanism of CO Oxidation on WO₃(001) Surfaces for Gas Sensing: A DFT StudyHua Jin, Hegen Zhou, Yongfan Zhang
Physical Chemistry Chemical Physics : PCCP|August 31, 2023
Computational screening of high activity and selectivity of CO<sub>2</sub> reduction <i>via</i> transition metal single-atom catalysts on triazine-based graphite carbon nitrideShuang Ji, Yi Li, Yongfan Zhang, et al.
The Journal of Physical Chemistry Letters|November 7, 2025
Mapping the Relationship of the Dynamic Active Site and the Activation Barrier for Cross-Coupling Reactions on Geminal-Cu CatalystWanxiang Yang, Yi Li, Yongfan Zhang, et al.
The Journal of Chemical Physics|March 22, 2024
Reveal long-lived hot electrons in 2D indium selenide and ferroelectric-regulated carrier dynamics of InSe/α-In2Se3/InSe heterostructureGuanghua Lau, Yi Li, Yongfan Zhang, et al.
The Journal of Physical Chemistry. B|November 10, 2006
Carbon nanotubes functionalized by NO2: coexistence of charge transfer and radical transferYongfan Zhang, Chiuho Suc, Zhifeng Liu, et al.
ACS Omega|December 12, 2022
Iron(II) Phthalocyanine Adsorbed on Defective Graphenes: A Density Functional StudyHuimin Yin, Heyun Lin, Yongfan Zhang, et al.
Physical Chemistry Chemical Physics : PCCP|March 22, 2023
Materials design of edge-modified polymeric carbon nitride nanoribbons for the photocatalytic CO<sub>2</sub> reduction reactionShaohua Liu, Yi Li, Yongfan Zhang, et al.
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