In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different c...In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te （001） surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te （110）. This energy difference makes the preferential growth direction along the 〈 001 〉 direction. In addition, the higher surface energy of Bi2Te3 （110） and the lattice misfit between crystalline Bi2We3 and Te along 〈 001 〉 direction are considered to explain the growth of the Bi2Te3 nanoplatelets, in which Volmer-Weber model is used. The theoretical results are in agreement with experimental observation.展开更多
Bulk samples of quasi-binary compounds in the Sn(Pb)Te-Bi2Te3 system were prepared by solvothermal method followed by a sintering procedure of compacted pellets. The formation mechanism of the precursor powders, micro...Bulk samples of quasi-binary compounds in the Sn(Pb)Te-Bi2Te3 system were prepared by solvothermal method followed by a sintering procedure of compacted pellets. The formation mechanism of the precursor powders, microstructure and thermoelectric properties of the final bulk samples were studied.展开更多
基金National Technology Research and Development Program (863,206649AA03Z322)National Natural Science Foundation of China (50772005)Beijing Science and Technology Thematic Program (Z08000303220808)
基金Project supported by the National Natural Science Foundation of China (Grant No 10774176)the Nation Basic Research Program of China (Grant Nos 2006CB921305 and 2006CB806202)
文摘In this paper the growth mechanism of a Te/Bi2Te3 novel structure is studied by ab-initio calculations. The results show that the growth of Te nanorods is determined by the adsorption energy of Te atoms on different crystalline Te surfaces. The adsorption energy of Te on the Te （001） surface is 3.29 eV, which is about 0.25 eV higher than that of Te on the Te （110）. This energy difference makes the preferential growth direction along the 〈 001 〉 direction. In addition, the higher surface energy of Bi2Te3 （110） and the lattice misfit between crystalline Bi2We3 and Te along 〈 001 〉 direction are considered to explain the growth of the Bi2Te3 nanoplatelets, in which Volmer-Weber model is used. The theoretical results are in agreement with experimental observation.
基金This work was supported by the National Natural Science Foundation of China(Grant Nos.50072010 and 59825102).
文摘Bulk samples of quasi-binary compounds in the Sn(Pb)Te-Bi2Te3 system were prepared by solvothermal method followed by a sintering procedure of compacted pellets. The formation mechanism of the precursor powders, microstructure and thermoelectric properties of the final bulk samples were studied.
