First principles investigation on Li or Sn codoped hexagonal tungsten bronzes as the near-infrared shielding material  

作　　者：Bo-Shen Zhou Hao-Ran Gao Yu-Chen Liu Zi-Mu Li Yang-Yang Huang Fu-Chun Liu Xiao-Chun Wang 周博深;高浩然;刘雨辰;李子木;黄阳阳;刘福春;王晓春(Institute of Atomic and Molecular Physics,Jilin University,Changchun 130012,China;College of Physics,Jilin University,Changchun 130012,China)

机构地区：[1]Institute of Atomic and Molecular Physics,Jilin University,Changchun 130012,China [2]College of Physics,Jilin University,Changchun 130012,China

出　　处：《Chinese Physics B》2022年第5期677-682,共6页中国物理B（英文版）

摘　　要：The 52%energy of the solar radiation is contributed by near-infrared radiation(NIR,780-2500 nm).Therefore,the material design for the energy-saving smart window,which can effectively shield NIR and has acceptable visible transmittance,is vital to save the energy consumed on the temperature control system.It is important to find a non-toxic stable material with excellent NIR-shielding ability and acceptable visible transmittance.The systematic first-principles study on Li_(x)Sn_(y)WO_(3)(x=0,0.33,0.66,and y=0,0.33)exhibits that the chemical stability is a positive correlation with the doping concentration.After doping,the Fermi-energy upshifts into the conduction band,and the material shows metal-like characteristics.Therefore,these structures Li_(x)Sn_(y)WO_(3)(except the structure with x=0.33 and y=0)show pronounced improvement of NIR shielding ability.Our results indicate that when x=0 and y=0.33,the material exhibits the strongest NIR-shielding ability,satisfying chemical stability,wide NIR-shielding range(780-2500 nm),and acceptable visible transmittance.This work provides a good choice for experimental study on NIR shielding material for the energy-saving window.

关 键 词：density functional theory electronic structure near-infrared radiation shielding material 

分 类 号：O469[理学—凝聚态物理]