Person

Sheng Meng

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Related publications (12)

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Electronic Structures and Catalytic Activities of Niobium Oxides as Electrocatalysts in Liquid-Junction Photovoltaic Devices

Ulf Anders Hagfeldt, Sheng Meng, Sining Yun, Hang Liu

Two types of nanosized niobium oxides and their composites, pseudohexagonal Nb2O5 (TT-Nb2O5), monoclinic NbO2 (M-NbO2), and the coexistence of TT-Nb2O5 and M-NbO2 (TT-Nb2O5/M-NbO2), are successfully synthesized through the urea-metal chloride route, and th ...

WILEY-V C H VERLAG GMBH2019

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We design a series of metal-free donor-pi-bridge molecules (denoted VB0-VB4) based on a new donor group-ullazine donor-as sensitizers for dye sensitized solar cell (DSSC) applications. Density functional theory (DFT) and time-dependent DFT calculations rev ...

American Chemical Society2013

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A structureproperty relationship in all-organic dye solar cells is revealed by first-principles molecular dynamics and real-time time-dependent density functional theory simulations, accompanied with experimental confirmation. An important structural featu ...

Wiley-Blackwell2013

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Molecular heterojunctions, such as the one based on copper phthalocyanine (CuPc) and carbon fullerene (C-60) molecules, are commonly employed in organic photovoltaic cells as electron donor-acceptor pairs. We have investigated the different atomic structur ...

2012

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New charged cyclometalated iridium(III) complexes Ir(ppy)2(L) [ppy = 2-phenylpyridine; L = bis(pyrazol-1-yl)methane (for 1); L = bis(3,5-dimethylpyrazol-1-yl)methane (for 2)] were synthesized and their electrochemical and photophysical properties st ...

Wiley-Blackwell2012

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We investigate the atomic structure and electronic properties of monolayers of copper phthalocyanines (CuPc) deposited on epitaxial graphene substrate. We focus in particular on hexadecafluorophthalocyanine (F16CuPc), using both theoretical and experimenta ...

American Institute of Physics2011

Design of Dye Acceptors for Photovoltaics from First-Principles Calculations

Michael Graetzel, Mohammad Khaja Nazeeruddin, Efthimios Kaxiras, Sheng Meng

We investigate a set of donor-pi-acceptor (D-pi-A) dyes with new acceptor groups for dye-sensitized solar cells, using time-dependent density-functional-theory calculations of the electronic structure and optical absorption. We considered three types of mo ...

American Chemical Society2011

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A D-pi-A dye (KM-1) incorporating cyanobenzoic acid as a new acceptor/anchoring group has been synthesized for dye-sensitized solar cells (DSCs) with a high molar extinction coefficient of 66 700 M-1 cm(-1) at 437 nm. Theoretical calculations show that the ...

American Chemical Society2011

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We present a detailed study of optical absorption spectra of finite-size structures, using a method based on time-dependent density-functional theory (TDDFT), which involves a self-consistent field for the propagation of the Kohn-Sham wavefunctions in real ...

2010

Electron and Hole Dynamics in Dye-Sensitized Solar Cells: Influencing Factors and Systematic Trends

Efthimios Kaxiras, Sheng Meng

We investigate electron and hole dynamics upon photon excitation in dye-sensitized solar cells, using a recently developed method based on real-time evolution of electronic states through time-dependent density functional theory. The systems we considered ...

2010