Dopamine-Decorated TiO2 Nanoparticles in Water: A QM/MM vs an MM Description

نویسندگان
چکیده

برای دانلود باید عضویت طلایی داشته باشید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Nanospherical like reduced graphene oxide decorated TiO2 nanoparticles: an advanced catalyst for the hydrogen evolution reaction

Modification of titanium dioxide (TiO2) for H2 generation is a grand challenge due to its high chemical inertness, large bandgap, narrow light-response range and rapid recombination of electrons and holes. Herein, we report a simple process to prepare nanospherical like reduced graphene oxide (NS-rGO) decorated TiO2 nanoparticles (NS-rGO/TiO2) as photocatalysts. This modified TiO2 sample exhibi...

متن کامل

Water adsorption on TiO2 surfaces probed by soft X-ray spectroscopies: bulk materials vs. isolated nanoparticles

We describe an experimental method to probe the adsorption of water at the surface of isolated, substrate-free TiO2 nanoparticles (NPs) based on soft X-ray spectroscopy in the gas phase using synchrotron radiation. To understand the interfacial properties between water and TiO2 surface, a water shell was adsorbed at the surface of TiO2 NPs. We used two different ways to control the hydration le...

متن کامل

Thermal Conductivity of Water Based Nanofluids Containing Decorated Multi Walled Carbon Nanotubes with Different Amount of TiO2 Nanoparticles

In this paper, we report for the first time, thermal conductivity behavior of nanofluids containing decorated MWCNTs with different amount of TiO<span style="font-size: 6pt; color: #000000; font-style: n...

متن کامل

Water-dispersible TiO2 nanoparticles via a biphasic solvothermal reaction method

A biphasic solvothermal reaction method has been used for the synthesis of TiO2 nanoparticles (NPs). In this method, hydrolysis and nucleation occur at the interface of organic phase (titanium (IV) n-propoxide and stearic acid dissolved in toluene) and water phase (tert-butylamine dissolved in water) resulting in the nucleation of the stearic acid-capped TiO2 NPs. These NPs are hydrophilic due ...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Journal of Chemical Theory and Computation

سال: 2020

ISSN: 1549-9618,1549-9626

DOI: 10.1021/acs.jctc.0c00483