SinoGreenTech Academic Portal
LL
Verified CAS / Academic Author2 Decoded Studies

Prof. LU Liu

College of Materials Science and Engineering, Beijing University of Technology

Research Publications & English Decoded Briefs

Showing 2 publications
Chinese Journal of Environmental Engineering2026DOI: 10.12030/j.cjee.202511076

Distribution and Enrichment Characteristics of Heavy Metals in Soil and Plants Along an Altitude Gradient in the Northern and Southern Mountains of Lhasa

This study investigated the altitudinal distribution and enrichment characteristics of heavy metals in the soil-plant system of the northern and southern mountains of Lhasa on the Tibetan Plateau. Soil and dominant plant samples were collected from three sites along an elevation gradient from 3,650 to 4,150 m, and concentrations of Cr, Cd, Cu, Zn, Ni, As, and Pb were analyzed. Soil heavy metal concentrations ranged from 0.06 to 184.4 mg·kg−1, with all elements except Cd and Pb exceeding local background values. Plant heavy metal concentrations were within normal ranges, indicating no obvious stress. Correlation analysis revealed significant positive correlations between soil Zn and Cd, Cr and Ni, and plant Zn and Cu. Except for Cr, Cu, and Cd, plant and soil concentrations of the same element were significantly correlated. Bioconcentration factor (BCF) analysis showed that most plants had weak enrichment capacity (BCF < 1), but five species, including Ephedra sinica and Rheum likiangense, exhibited BCF > 1 for Cd, with R. likiangense showing the highest BCF of 4.01. The enrichment capacity varied with altitude and species. Potential ecological risk assessment indicated that Cd posed a relatively high risk in plants, warranting attention. This study fills a gap in understanding the spatial distribution and enrichment of heavy metals in this region, providing a scientific basis for ecological management and environmental protection.

SCIENCE CHINA Materials2026DOI: 10.1007/s40843-026-4125-8

Accelerated DFT-Assisted Screening of Interfacial Modification Materials for High-Performance Perovskite Solar Cells

Perovskite solar cells (PSCs) require advanced interfacial modification materials to mitigate defects and ion migration that limit efficiency and stability. This study presents a low-cost, highly efficient screening methodology based on density functional theory (DFT) calculations to identify superior interface modifiers. The effectiveness of this method is experimentally validated. Methyl 1H-1,2,4-triazole-3-carboxylate (TZMC) is screened as a superior molecule that simultaneously passivates perovskite defects and suppresses ion migration through a synergistic effect: coordination with Pb2+ via carbonyl oxygen and imidazole nitrogen, and stabilization of I− via N–H···I hydrogen bonding. This mechanism reduces non-radiative recombination, enhancing both open-circuit voltage (VOC) and fill factor (FF). TZMC-modified PSCs achieve a champion power conversion efficiency (PCE) of 25.44% and significantly improved operational stability under continuous illumination and resistance to water/oxygen. Comprehensive characterization confirms reduced defect density and increased ion migration barriers. This work demonstrates the success of DFT-guided design in advancing interfacial modification materials for high-performance PSCs, transforming interface engineering from trial-and-error to rational design and providing a framework for high-throughput screening.