Sabatier principle guiding the design of cathode catalysts for Li-CO_(2) batteries

The Sabatier principle has been widely used for designing electrocatalysts for energy conversion applications,but it is rarely mentioned in the research of cathode catalyst of Li-CO_(2) batteries.In our work,the"volcanic"relationship between the catalytic activity and the adsorption energy of the catalyst to the intermediates is first demonstrated based on the first-principles calculation,which meets the Sabatier principle and can be used to design the cathode catalysts.The increases in the number of nitrogenvacancy in WN shift the d-band center and increase the interaction with the reactants.The catalytic activity increases first and then decreases with the increase of adsorption energy,which was proved in the experiment.The optimal catalyst for moderate adsorption of intermediate makes the thin LiaCO_(3) distribute evenly.It exhibits a median voltage difference of 0.68 V and an energy efficiency of 84.33%at20μA cm^(-2)with a limited capacity of 200μA h cm^(-2).

Discussion of Misleading on the Interpretation of the Word “Catalysis, Catalyst”

The main idea of this paper is what the resource of the serious error of the widely popular Chemical Reaction Mode catalysis Mechanism-CRMM is. The wrong definition of “catalysis, catalyst” by the catalytic academia boss leads to the wrong interpretation of “catalysis, catalyst” by linguists (Dictionary). The interpretation of “catalysis, catalyst” in a dictionary is misleading. The most fundamental reason for this error is that catalysis experts always believe that catalysts participate in chemical reactions. The result will appear as a series of impossible events. Such as catalysis cyclic reaction, opinions vary intermedium, catalysts repeated decomposition—formation, oxidation-reduction or life and death (enzyme), Sabatier’s principle and Boudart’s principle. The wrong theory leads the research and application of catalysts to the bottomless abyss, and industrial production suffers great losses. Electron Orbital Deformation-Recovere cyclic catalysis Mechanism-EODRM or Electron Cyclic Donate-Adopt catalysis Mechanism-ECDAM shows that the catalytic phenomenon is a physical phenomenon, not a chemical phenomenon, the catalyst does not participate in chemical reactions, only contact is the electron donate-adopt cycle, is the electron orbital deformation recovery cycle Chinese and foreign scholars should change the interpretation on the “catalysis, catalyst”, or add two new words: “contact and contactor”, it is to give up “catalysis, catalyst” altogether.

Theory-guided electrocatalyst engineering:From mechanism analysis to structural design

The exploitation of competent electrocatalysts is a key issue of the broad application of many promising electrochemical processes,including the hydrogen evolution reaction(HER),the oxygen evolution reaction(OER),the oxygen reduction reaction(ORR),the CO_(2) reduction reaction(CO_(2)RR)and the nitrogen reduction reaction(NRR).The traditional searches for good electrocatalysts rely on the trial-and-error approaches,which are typically tedious and inefficient.In the past decades,some fundamental principles,activity descriptors and catalytic mechanisms have been established to accelerate the discovery of advanced electrocatalysts.Hence,it is time to summarize these theory-related research advances that unravel the structure-performance relationships and enables predictive ability in electrocatalysis studies.In this review,we summarize some basic aspects of catalytic theories that are commonly used in the design of electrocatalysts(e.g.,Sabatier principle,d-band theory,adsorption-energy scaling relation,activity descriptors)and their relevance.Then,we briefly introduced the fundamental mechanisms and central challenges of HER,OER,ORR,CO_(2)RR and NRR electrocatalysts,and highlight the theory-based efforts used to address the challenges facing these electrocatalysis processes.Finally,we propose the key challenges and opportunities of theory-driven electrocatalysis on their future.

Smart tailoring of molecular catalysts:Mounting approach to oxygen reduction reaction

Efficient electrocatalytic rupture of energy-rich molecules(H_(2)and O_(2))is a green approach for gener-ating clean energy for modern societies.In this context,porphyry-type molecular electrocatalysts act intelligently toward oxygen reduction reaction(ORR),a fundamental process in fuel cells,due to their redox-rich chemistry,which involves core metal ions and macrocyclic ligands.The concerned scientific community has tried many times to correlate the ORR intermediates with their formation kinetics and simplify the associated multi H+/e-stages during the ORR process,constructing several volcano plots be-tween catalytic Tafel data,turnover frequencies,and overpotentials for many electrocatalysts.Despite the fact that many review articles on molecular electrocatalysts for ORR have been published,understanding the strategic implications and molecular catalyst intelligence towards homogenous ORR has been poorly explored.This review examined the relationships between volcano plots of current vs.thermodynamic parameters and the Sabatier principle in order to explain the intelligence of molecular electrocatalysts and approaches for their creation,as well as the difficulties and potential prospects of molecular electro-catalysts.These facts distinguish this review from previously published articles and will pique the scien-tific community’s interest in avoiding trial-and-error procedures for catalyst creation while also allowing for more exact evaluations of the molecular catalyst’s performance.