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A Fundamental DFT Study of Anatase(TiO2) Doped with 3d Transition Metals for High Photocatalytic Activities 被引量:2
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作者 刘晓烨 李育彪 +1 位作者 WEI Zhenlun SHI Ling 《Journal of Wuhan University of Technology(Materials Science)》 SCIE EI CAS 2018年第2期403-408,共6页
Anatase(TiO_2) has been widely used in photocatalysis. However, it can only absorb near-ultraviolet light with a wavelength below approximately 388 nm due to a wide band gap. Therefore a modification should be made ... Anatase(TiO_2) has been widely used in photocatalysis. However, it can only absorb near-ultraviolet light with a wavelength below approximately 388 nm due to a wide band gap. Therefore a modification should be made for anatase to increase its capability in utilizing more abundant visible light. We investigated the doped anatase with the most promising 3d transition metal elements, and the results showed that the visible light absorption intensity was increased significantly due to the reduced band gap and the cavitation effects. As compared to other 3d transition metals, Cu was found to be the most effective one in improving anatase photocatalytic effects. In addition, greater Cu concentration doped in the anatase increased the photocatalysis effects but reduced the anatase stability, therefore, an optimized Cu concentration should be considered to optimize the anatase photocatalysis activity. 展开更多
关键词 anatase doping transition metal elements DFT
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Geochemical anomaly and the causes of transition metal accumulations in late Permian coal from the eastern Yunnan-western Guizhou region 被引量:1
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作者 Wu Yanyan Qin Yong +1 位作者 Wang Aikuan Shen Jian 《International Journal of Mining Science and Technology》 SCIE EI 2013年第1期105-111,共7页
The concentration of 39 trace elements in coal from the late Permian taken from the eastern Yunnan-western Guizhou region was determined using inductively coupled plasma mass spectrometry. It was found that the mean c... The concentration of 39 trace elements in coal from the late Permian taken from the eastern Yunnan-western Guizhou region was determined using inductively coupled plasma mass spectrometry. It was found that the mean content of Ti, V, Cr, Mo, Co, Ni, Y, and Zr is higher than the national average. The occurrence of Mn, Ni, and Co in the different coalfields is distinctly different. Most of the enriched transition metal elements exist mainly as inorganic minerals. In the Zhina coalfield, Co, Ni, and Nb are primarily associated with sulfur. Mn, Cs, and Mo are mostly sulfides. Almost all Co was organic and a significant part of the Ni is also organic in the Liupanshui coalfield. Cs, Co, and Ni are related to sulfur in the coal taken from eastern Yunnan. Carbonate is the main form of Mn in the coal from eastern Yunnan and the Liupanshui coalfield. Ti is the oxide in the coal samples where Ti is enriched. Zr is in the form of zircon in the samples where Zr is enriched. The situation for most of the transition metal elements is consistent with terrestrial genesis. Coal seams are universally influenced by the sea. The strongly seawater effected peat bog with a reductive and alkaline environment favors the relative enrichment of Mn. A reducing environment is conducive to transition metal element enrichment. 展开更多
关键词 East Yunnan West Guizhou Late Permian transition metal elements in coal Geochemical
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