Concept

Inert-pair effect

Related publications (34)

Assessing the persistence of chalcogen bonds in solution with neural network potentials

Rubén Laplaza Solanas, Frédéric Célerse, Veronika Juraskova

Non-covalent bonding patterns are commonly harvested as a design principle in the field of catalysis, supramolecular chemistry, and functional materials to name a few. Yet, their computational description generally neglects finite temperature and environme ...

2022

APT/TEM characterization of the element segregation in ferritic/martensitic steels after irradiation in SINQ

Lijuan Cui

Ferritic /martensitic (FM) steels are among the most important materials in various nuclear applications. As radiation-induced segregation (RIS) is one of the major factors for embrittlement of nuclear materials, thereofre it is essential to study the RIS ...

EPFL2021

Revealing the Mechanism of Doping of spiro-MeOTAD via Zn Complexation in the Absence of Oxygen and Light

Ulf Anders Hagfeldt, Yasemin Saygili, Hui-Seon Kim, Bowen Yang, Jiajia Suo

In this study, a new mechanism for doping of spiro-MeOTAD by Zn(TFSI)(2) is revealed, which is completely different from the mechanism induced by LiTFSI. The oxidation of spiro-MeOTAD is facilitated by complexation between the zinc cation and tert-butylpyr ...

AMER CHEMICAL SOC2020

Black phosphorus quantum dots in inorganic perovskite thin films for efficient photovoltaic application

Michael Graetzel, Shaik Mohammed Zakeeruddin, Tong Zhang, Carole Graetzel, Mingkui Wang, Qingwei Li, Han Pan, Li Guan

Black phosphorus quantum dots (BPQDs) are proposed as effective seed-like sites to modulate the nucleation and growth of CsPbI2Br perovskite crystalline thin layers, allowing an enhanced crystallization and remarkable morphological improvement. We reveal t ...

2020

Colloidal-ALD-Grown Core/Shell CdSe/CdS Nanoplatelets as Seen by DNP Enhanced PASS-PIETA NMR Spectroscopy

David Lyndon Emsley, Laura Piveteau, Brennan James Walder

Ligand exchange and CdS shell growth onto colloidal CdSe nanoplatelets (NPLs) using colloidal atomic layer deposition (c-ALD) were investigated by solid-state nuclear magnetic resonance (NMR) experiments, in particular, dynamic nuclear polarization (DNP) e ...

2020

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

Catalyst design for the transformation of CO2 into value-added products.

Felix Daniel Bobbink

The mass-utilization of fossil resources has led to a dramatic increase in carbon dioxide (CO2) production, most of which is released directly into the Earth's atmosphere, resulting in global warming. Efforts to contain CO2 emissions and to capture, store ...

EPFL2018

Lattice Energy as Emerging General Parameter Describing Ionic Organic Semiconducting Materials Properties

Donatas Gesevicius

Cyanine dyes represent a class of ionic functional materials used by a broad heterogeneous science community contain-ing biologists, chemists, physicists and materials scientists. Their diverse application opportunities are ranging from fluorescence marker ...

EPFL2018

van der Waals Bonded Co/h-BN Contacts to Ultrathin Black Phosphorus Devices

Ahmet Avsar, Xin Luo

Because of the chemical inertness of two dimensional (2D) hexagonal-boron nitride (h-BN), few atomic-layer hBN is often used to encapsulate air-sensitive 2D crystals such as black phosphorus (BP). However, the effects of h-BN on Schottky barrier height, do ...

Amer Chemical Soc2017

Conditional expanding bounds for two-variable functions over finite valuation rings

Van Thang Pham

In this paper, we use methods from spectral graph theory to obtain some results on the sum-product problem over finite valuation rings R of order q(r) which generalize recent results given by Hegyvari and Hennecart (2013). More precisely, we prove that, fo ...

Academic Press Ltd- Elsevier Science Ltd2017

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