当前位置: X-MOL 学术J. Phys. Chem. Lett. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Single-Crystal Growth and Characterization of the Chalcopyrite Semiconductor CuInTe2 for Photoelectrochemical Solar Fuel Production
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2018-11-15 00:00:00 , DOI: 10.1021/acs.jpclett.8b03100
Jessica J. Frick 1 , Andreas Topp 2 , Sebastian Klemenz 1 , Maxim Krivenkov 3 , Andrei Varykhalov 3 , Christian R. Ast 2 , Andrew B. Bocarsly 1 , Leslie M. Schoop 1
Affiliation  

Transition-metal chalcogenides are a promising family of materials for applications as photocathodes in photoelectrochemical (PEC) H2 generation. A long-standing challenge for chalcopyrite semiconductors is characterizing their electronic structure, both experimentally and theoretically, because of their relatively high-energy band gaps and spin–orbit coupling (SOC), respectively. In this work, we present single crystals of CuInTe2, whose relatively small optically measured band gap of 0.9 ± 0.03 eV enables electronic structure characterization by angle-resolved photoelectron spectroscopy (ARPES) in conjunction with first-principles calculations incorporating SOC. ARPES measurements reveal bands that are steeply dispersed in energy with a band velocity of 2.5–5.4 × 105 m/s, almost 50% of the extremely conductive material graphene. Additionally, CuInTe2 single crystals are fabricated into electrodes to experimentally determine the valence band edge energy and confirm the thermodynamic suitability of CuInTe2 for water redox chemistry. The electronic structure characterization and band edge position presented in this work provide kinetic and thermodynamic factors that support CuInTe2 as a strong candidate for water reduction.

中文翻译:

用于光电化学太阳能燃料生产的黄铜矿半导体CuInTe 2的单晶生长和表征

过渡金属硫属化物是有前途的材料系列,可作为光阴极在光电化学(PEC)H 2世代中的应用。黄铜矿半导体面临的长期挑战是,无论是在实验上还是在理论上,都要表征其电子结构,因为它们分别具有相对较高的能带隙和自旋轨道耦合(SOC)。在这项工作中,我们介绍了CuInTe 2单晶,其相对较小的光学测量带隙为0.9±0.03 eV,可以通过角度分辨光电子能谱(ARPES)结合结合SOC的第一原理计算来表征电子结构。ARPES测量揭示了在能量中陡峭分散的频带,其频带速度为2.5–5.4×10 5m / s,几乎是极导电材料石墨烯的50%。另外,将CuInTe 2单晶制成电极,以实验确定价带边缘能并确定CuInTe 2对水氧化还原化学的热力学适应性。在这项工作中提出的电子结构表征和能带边缘位置提供了动力学和热力学因素,这些因素支持CuInTe 2作为减水的强大候选者。
更新日期:2018-11-15
down
wechat
bug