Efficient electrochemical reduction of CO to C2 products on the transition metal and boron co-doped black phosphorene

Computational screening of single-atom catalysts supported by VS2 monolayers for electrocatalytic oxygen reduction/evolution reactions

“…In this regard, two-dimensional (2D) materials hold great promise as a class of promising substrates to support SACs due to their high specific surface areas and excellent physical and chemical properties. [31][32][33][34][35][36][37][38][39][40] Notably, among various 2D materials, transition metal dichalcogenide nanosheets (TMD), such as MoS 2 , WS 2 , MoSe 2 , and WSe 2 , have received considerable attention due to their unique structures and excellent properties, endowing them with wide applications as SACs substrates. 41,42 For example, Cao's group reported that a single Ru atom supported on a MoS 2 nanosheet can serve as a highly efficient HER electrocatalyst, 43 while Li et al experimentally showed that a single Fe atom supported on a MoS 2 nanosheet exhibits high catalytic activity for the nitrate reduction reaction with a maximum Faradaic efficiency of 98%.…”

Breaking BEP Relationship with Strong CO Binding and Low C–C Coupling Barriers for Ethanol Synthesis on Boron-Doped Graphyne: Bond Order Conservation and Flexible Orbital Hybridization

“…Relationship between CO binding energy (E *CO ) and activation energy ( E a ) of 2*CO → *COCO for the present doped GRY (red) and other research from this year: transition metal-doped carbon nitride (TM@CN, blue), transition-metal-doped black phosphorus (TM@BP, light blue), and iron doping on a copper surface (Fe@Cu, green) …”

“…Many studies have focused on transition-metal surfaces, − metal oxides, , or metal atoms coordinated on substrate surfaces. ,− However, the cost, abundance, and toxicity are always issues for these precious metals. Carbon-based catalysts have an advantage in environmental friendliness, durability, high mobility, and flexible synthesis of different motifs. − The modification of electronic structures is one of the straightforward strategies to improve material properties, and many have utilized B, N, or P atom doping toward sp 2 (graphene) and sp 3 (nanodiamond) carbon atoms for nonmetal catalysis. − However, studies concerning the combination of sp–sp 2 hybrid systems are relatively scarce. Graphyne family members are carbon allotropes consisting of a network of sp 2 and sp hybridization.…”

Preparation of Au/MoS2‐CNT@CNF Composite Electrocatalyst for High‐Efficiency Hydrogen Evolution Reaction

“…Due to the continuous development of society, the massive consumption of traditional fossils has brought many serious consequences, such as air pollution and energy shortage. Therefore, development of sustainable and renewable energy dumps to replace obsolete fossil fuels has shown great potential [1–4] . Benefiting from the high energy density and zero pollution, hydrogen (H 2 ) energy has been considered as an ideal alternative to solve the energy crisis and environmental pollution problems caused by fossil fuel consumption [5–13] .…”

“…Therefore, development of sustainable and renewable energy dumps to replace obsolete fossil fuels has shown great potential. [1][2][3][4] Benefiting from the high energy density and zero pollution, hydrogen (H 2 ) energy has been considered as an ideal alternative to solve the energy crisis and environmental pollution problems caused by fossil fuel consumption. [5][6][7][8][9][10][11][12][13] Electrochemical technology for H 2 production has become one of the most effective methods owing to its direct, fast and clean properties.…”