First-principles Study on the Photocatalytic Hydrogen Production of a Novel Two-dimensional Zr2CO2/InS Heterostructure
JOURNAL OF INORGANIC MATERIALS
Authors: Zhao Yupeng; He Yong; Zhang Min; Shi Junjie
Abstract
Electronic structure and photocatalytic performance of 2D novel Zr2CO2/InS heterostructure was systematically investigated using first principle calculations. The calculated results demonstrate that the Zr2CO2/InS heterostructure is a direct bandgap semiconductor with a lattice mismatch less than 3% and a formation energy of -0.49 eV, indicating a stable structure. Band gap of the Zr2CO2/InS heterostructure is 1.96 eV, which should have a wide visible light absorption range, and the absorption coefficient is up to 10(5) cm(-1). The heterostructure has a typical type-II band alignment, and its valence band and conduction band offsets are 1.24 and 0.17 eV, respectively, demonstrating the transfer of photo-generated electrons from Zr2CO2 layer to InS layer and vice versa for holes, which indicates that the electrons and holes can be separated effectively in space. In addition, InS is an indirect band gap semiconductor material, which can further reduce the recombination of electrons and holes. Therefore, the novel Zr2CO2/InS heterostructure is a potential visible-light photocatalyst.
Source identification and assessment of heavy metal contamination in urban soils based on cluster analysis and multiple pollution indices
JOURNAL OF SOILS AND SEDIMENTS
Authors: Lee, Hong-gil; Kim, Hyun-Koo; Noh, Hoe-Jung; Byun, Yoon Joo; Chung, Hyen-Mi; Kim, Ji-In
Abstract
Purpose To identify the sources and levels of contamination with anthropogenically derived heavy metals (HMs) for appropriate pollution control. We quantified anthropogenic influences with respect to HM pollution in soil, based on multiple pollution indices and cluster analysis derived from the results of an annual nationwide survey conducted in Korea. Methods Contamination levels of HMs in soils were quantitatively evaluated using multiple pollution indices: contamination factor (CF), geo-accumulation index (I-geo), Nemerow's integrated pollution index (NIPI), and pollution load index (PLI). Hierarchical cluster analysis was conducted to elucidate the correlations between HMs and contamination sources. A total of 2214 HM concentration data including six contamination sources were used to evaluate the pollution state of anthropogenic effects of HMs. Results The CFs for Zn and Cu revealed a broad enrichment of these HMs in all pollution sources. Scrap recycling sites (SRS) had the highest likelihood of pollutant distribution in soil surfaces. NIPI and PLI varied with the extent of anthropogenic activities or land use, especially in SRS, waste disposal sites (WDS), transport maintenance sites (TMS), and industrial sites (INS), and anthropogenic sources were divided into three discrete clusters: INS-TMS-LDS (land development sites), SRS-WDS, and vicinities of industrial sites (VIS). Conclusion Our results confirmed that soil pollution indices combined with cluster analysis were useful to identify sources of anthropogenic HMs in urban soil, as well as to assess the levels of HM contamination.