Structure–activity relationship of surface hydroxyl groups during NO2 adsorption and transformation on TiO2 nanoparticles†,Environmental Science: Nano

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Structure–activity relationship of surface hydroxyl groups during NO2 adsorption and transformation on TiO2 nanoparticles†
Environmental Science: Nano ( IF 5.8 ) Pub Date : 2017-11-01 00:00:00 , DOI: 10.1039/c7en00920h
Chang Liu _{1,

2,

3,

4,

5} , Qingxin Ma _{1,

2,

3,

4,

5} , Hong He _{1,

2,

3,

4,

5} , Guangzhi He _{1,

2,

3,

4,

5} , Jinzhu Ma _{1,

2,

3,

4,

5} , Yongchun Liu _{1,

2,

3,

4,

5} , Ying Wu _{1,

2,

3,

4,

5}

Affiliation

The role of hydroxyl groups (OH) is significant in understanding the surface reactions on oxides. Here we combined spectroscopic experiments and theoretical calculations to reveal the role of OH in the heterogeneous reactions of NO₂ on TiO₂ nanoparticles with various crystal structures. The interaction between OH and NO₂ was determined to be a critical step, giving rise to the formation of surface HNO₃. HNO₃ was found to be either a stable product on amorphous TiO₂, or an important intermediate of nitrate on anatase due to its further reaction with nearby OH. The lack of surface OH on rutile limited its reactivity toward NO₂. This study presents clear evidence that the reactivity of TiO₂ toward NO₂ greatly depends on the surface OH as well as the crystalline form. Considering the ubiquitous presence of TiO₂ nanoparticles in catalysts and in natural environments, our results could provide insights helpful to future research in both environmental catalysis and atmospheric chemistry.

中文翻译：

TiO ₂纳米颗粒在NO ₂吸附和转化过程中表面羟基的结构-活性关系†

羟基（OH）的作用对于理解氧化物的表面反应非常重要。在这里，我们结合光谱实验和理论计算来揭示OH在具有各种晶体结构的TiO ₂纳米颗粒上NO ₂的非均相反应中的作用。OH和NO ₂之间的相互作用被确定为关键步骤，从而导致表面HNO ₃的形成。人们发现HNO ₃是无定形TiO ₂上的稳定产物，或者是锐钛矿上硝酸盐的重要中间体，因为它与附近的OH进一步反应。金红石上缺乏表面OH限制了其对NO _2的反应性。这项研究提供了明确的证据，即TiO ₂对NO ₂的反应性很大程度上取决于表面OH以及晶体形式。考虑到TiO ₂纳米粒子在催化剂和自然环境中的普遍存在，我们的研究结果可以提供有益的见解，有助于未来在环境催化和大气化学领域的研究。

更新日期：2017-11-01

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