المؤلفون: Jianfu Chen (4048219), Menglei Jia (11839907), Jinglin Wang (317883), Peijun Hu (2885696), Haifeng Wang (188956)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cell Biology, Genetics, Science Policy, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, weak binding ability, distinct surface structures, distinct local structure, comparatively open issue, highest possible activity, transition metal oxides, like transition state, shaped activity curve, peak height limit, peak height, activity limit, type oxides, metal catalysts, activity curve, structural features, strongly affected, small molecules, quantitatively demonstrate, principles calculations, oxide surfaces, obviously higher, microkinetic analysis

Relation: https://figshare.com/articles/journal_contribution/Breaking_through_the_Peak_Height_Limit_of_the_Volcano-Shaped_Activity_Curve_for_Metal_Catalysts_Role_of_Distinct_Surface_Structures_on_Transition_Metal_Oxides/17324643

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c08089.s001

المؤلفون: Zhuangzhuang Lai (11547812), Ningling Sun (5210873), Jiamin Jin (5210870), Jianfu Chen (4048219), Haifeng Wang (188956), P. Hu (1391536)

مصطلحات موضوعية: Medicine, Cell Biology, Pharmacology, Ecology, Cancer, Infectious Diseases, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, work could lay, solid theoretical foundation, possible elementary steps, major route responsible, hottest catalytic systems, heated debate owing, direct c –, kinetic model illustrates, g ., zncro, 2h → ch, 4 , 3 , 2c , 2 , triggered light olefins, highly reduced zncr, syngas conversion via, favored reaction pathways, h → ch, combining reduced oxide

Relation: https://figshare.com/articles/journal_contribution/Resolving_the_Intricate_Mechanism_and_Selectivity_of_Syngas_Conversion_on_Reduced_ZnCr_sub_2_sub_O_i_sub_x_sub_i_A_Quantitative_Study_from_DFT_and_Microkinetic_Simulations/16785902

الاتاحة: https://doi.org/10.1021/acscatal.1c03579.s001

المؤلفون: Zhuangzhuang Lai (11547812), Jianfu Chen (4048219), Menglei Jia (11839907), Peijun Hu (2885696), Haifeng Wang (188956)

مصطلحات موضوعية: Cell Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, work could contribute, universal kinetic characteristics, theoretical understandings derived, systematic theoretical elucidation, six slope zones, intricate kinetic characteristics, universal skeleton feature, heterogeneous catalysis constructing, dimensional volcano surface, summit zone bound, given catalyst candidate, basic thermodynamic rule, thermodynamic rule, feature lines, catalyst surface, specific conditions, roughly located, reaction type, rational design, quickly sketch, quantitatively formulated, quantitatively discussed, provide guidance, principles calculations, primary focus, phase thermodynamics, local configuration

Relation: https://figshare.com/articles/journal_contribution/Universal_Skeleton_Feature_of_the_Three-Dimensional_Volcano_Surface_and_the_Thermodynamic_Rule_in_Locating_the_Catalyst_in_Heterogeneous_Catalysis/17206685

الاتاحة: https://doi.org/10.1021/acscatal.1c04567.s001

المؤلفون: Chao Peng (686643), Jianfu Chen (4048219), Peijun Hu (2885696), Haifeng Wang (188956)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Ecology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, entropy effect, temperature dependence, CO molecule, Adsorption-Site Determination, Metal Oxides Quantifying, Molecular Adsorption Kinetics, desorption barrier, adsorption-site puzzle, adsorption site, enthalpy cost, adsorption barrier, metal surfaces, CO adsorption barriers, adsorption energies, energy barriers, Constrained AIMD, metal oxide, estimation method, adsorption processes

Relation: https://figshare.com/articles/journal_contribution/Molecular_Adsorption_Kinetics_Nonlinear_Entropy_Enthalpy_Loss_Quantified_by_Constrained_AIMD_and_Insights_into_the_Adsorption-Site_Determination_on_Metal_Oxides/14579853

الاتاحة: https://doi.org/10.1021/acs.jpcc.1c02537.s001