Shortening the screening process towards high-performance 2D-MOF NRR electrocatalysts with <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si7.svg"><mml:mrow><mml:mi mathvariant="normal">Δ</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi>μ</mml:mi><mml:mrow><mml:mtext>B</mml:mtext><mml:mi>_</mml:mi><mml:mtext>TM</mml:mtext></mml:mrow></mml:msub><mml:mtext>-</mml:mtext><mml:mspace width="0.333333em"/><mml:msub><mml:mi>μ</mml:mi><mml:mrow><mml:mtext>B</mml:mtext><mml:mi>_</mml:mi><mml:mtext>X</mml:mtext></mml:mrow></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math> as the descriptor of N2 activation capability
Cheng He, Chang Xu, Wenxue Zhang
Topics & Concepts
CatalysisDensity functional theoryLimitingChemistryRedoxAdsorptionComputer scienceCombinatorial chemistryMaterials scienceComputational chemistryPhysical chemistryInorganic chemistryOrganic chemistryMechanical engineeringEngineeringAmmonia Synthesis and Nitrogen ReductionAdvanced Photocatalysis TechniquesNanomaterials for catalytic reactions