Monolayer C7N6 : Room-temperature excitons with large binding energies and high thermal conductivities

C7N6/Sc2CCl2 Weak van der Waals Heterostructure: A Promising Visible-Light-Driven Z-Scheme Water Splitting Photocatalyst with Interface Ultrafast Carrier Recombination

“…The absorption curves extend even into the near-infrared region attributing to the narrow band gap (0.17 eV) of the heterostructure, and these effective absorptions are mainly dominated by interlayer transitions near the Γ point in momentum space, as shown in Figure b. The exciton effect should also be considered in the C 7 N 6 /Sc 2 CCl 2 heterostructure because it affects the optical absorption performance. , Unfortunately, the computational cost of solving the Bathe–Salpeter equation exceeds our ability. Anyway, the C 7 N 6 /Sc 2 CCl 2 heterostructure can efficiently harvest sunlight, facilitating its utilization as a water splitting photocatalyst.…”

“…The exciton effect should also be considered in the C 7 N 6 /Sc 2 CCl 2 heterostructure because it affects the optical absorption performance. 30,35 Unfortunately, the computational cost of solving the Bathe−Salpeter equation exceeds our ability. Anyway, the C 7 N 6 /Sc 2 CCl 2 heterostructure can efficiently harvest sunlight, facilitating its utilization as a water splitting photocatalyst.…”

“…The well-known graphitic carbon nitride layered materials, including g-C 3 N 4 , C 2 N, and C 3 N 5 , have been successfully synthesized and possess porous atomic lattices with inherent semiconductor properties, playing pivotal roles in energy conversion and storage applications. , Recently, Mortazavi et al , predicted a novel porous carbon-nitride monolayer (C 7 N 6 ) composed of pentagon cores exhibiting excellent stability and rather pronounced optical absorption in the visible regions. In recent years, 2D transition metal carbides and nitrides (MXenes) have emerged as new stars in the realm of 2D materials, showing potential in energy storage, sensors, electronic devices, and catalysis/photocatalysis. , By modifying their surface chemistries, MXenes can also be employed for photocatalytic water splitting. , According to the study of Zhou et al, Sc 2 CCl 2 MXene is an indirect semiconductor with strong light-harvesting ability and room-temperature anisotropic carrier mobility .…”

C3N2: the missing part of highly stable porous graphitic carbon nitride semiconductors

“…Limited efficient synthetic methods and the instability of the PGCNs prevent them from being more widely synthesized and studied experimentally, despite the publication of many theoretical predictions. 12–22 The main bottleneck is the lack of suitable organic molecule building blocks. Theoretically, the possibility of experimental synthesis of a given structure is determined by its thermodynamic stability.…”

Tunable anharmonicity versus high-performance thermoelectrics and permeation in multilayer (GaN)1–x (ZnO) x

“…[13][14][15][16][17][18][19][20] The irregular configurations are adopted to destroy the symmetry in charge dis-tribution, e.g., the square, [21] pentagon, [22] octagon, [23] and other irregular structures. [24,25] In multi-layer structures, the interlayer interactions inspire more phonon vibrational modes, therefore, it is feasible to further suppress the thermal transport and thus to continue to improve the thermoelectrics. However, the novel effects were seldom reported so far because of the lack of multilayer configurations.…”