Stress and defects cooperatively regulate the photocatalytic performance of AlN bulk phase materials

Enhancing the photocatalytic efficiency of two-dimensional aluminum nitride materials through strategic rare earth doping

“…Thus, in the process of photoelectrochemical water splitting, these sites represent oxidation locations for the OER. Analogous to previous studies on the OER for phase materials, 47,48 a four-step OER mechanism is proposed, consisting of OH*, O*, OOH*, OOH*, and O 2 * (the asterisks indicate adsorbed intermediates). The preferred adsorption site for each intermediate can be ascertained by considering the difference in adsorption energy among these sites.…”

“…Thus, in the process of photoelectrochemical water splitting, these sites represent oxidation locations for the OER. Analogous to previous studies on the OER for phase materials, 47,48…”

Two-Dimensional AlN/PtSSe Heterojunction as A Direct Z-Scheme Photocatalyst for Overall Water Splitting: A DFT Study

“…Since Fujishima and Honda used TiO 2 as a photocatalyst to split water to generate H 2 in 1972, a large number of photocatalytic materials have been synthesized in the laboratory, such as SrTiO 3 , Cs 2 AgBiCl 6 , Bi 2 MoO 6 , AlN, ZnS, MoS 2 , WSSe, and PtSSe . However, due to the low catalytic efficiency of traditional catalysts, the development of photocatalytic technology is limited to some extent .…”

Strain-induced catalytic enhancement in Co-BTA and Rh-BTA for efficient 2e− oxygen reduction: a DFT study

“…25 On the other hand, the method of applied stress modification has garnered significant attention. Techniques such as bending, 20 stretching, 32 or compressing 33 can alter the electronic structure of materials, thereby impacting their catalytic properties. Importantly, the unique one-dimensional chain structure of TM-BTA allows for precise control of catalyst activity through the application of tensile or compressive stresses at the chain ends.…”