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What is Q-Chem?

To obtain the electronic structure of molecules, one needs to use Quantum Mechanics. Q-Chem is a suite of electronic structure programs which can calculate molecular structures, electronic spectra, molecular vibrations and many other parameters solving quantum mechanical equations. Q-Chem is the electronic structure software preferred by the CEP team. All these properties will contribute to find ideal molecules for organic photovoltaics.

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How does an organic solar cell work?

Organic solar cells convert sunlight into electricity. The first step is that the organic solar cell must absorb light. This absorbed light adds energy into the material, causing the electrons in the material to increase their energy and move through the material, leaving behind a hole. Second, electrons must travel to a region where they can be collected by an acceptor material, lowering their energy (i.e., the donor-acceptor interface). Once the electrons are collected, they can be extracted to give a current, or they can remain in the device to give rise to a voltage. The electrons that leave the organic solar cell as current can deliver their energy to whatever is connected to the circuit.

 

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How does an organic solar cell work?

Organic solar cells convert sunlight into electricity. The first step is that light must be absorbed in the organic solar cell. This absorbed light causes the electrons in the material to increase their energy. Second, electrons must travel to a region where they can be collected (i.e., the donor-acceptor interface). Once the electrons are collected, they can be extracted to give a current, or they can remain in the device to give rise to a voltage. The electrons that leave the organic solar cell as current can deliver their energy to whatever is connected to the circuit.


 

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What other technological applications will be relevant to this project?

Another technological application that will spawn from this project is the study of molecular electronics, where molecules are used for building electronic components. A good organic semiconductor for solar cells would also be good for potential applications in molecular electronics such as transistors. This means that The Clean Energy Project (CEP) has a potential to extend Moore's Law.

The CEP also plans to host a range of other calculations for cleaner energy capture and storage such as solar concentrator and polymer fuel cell. It is only with your help that researchers will be able to pursue these pure and applied directions of research.

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How are virus and protein structures determined?

Cryo-electron microscopy is one way to determine the approximate structure of a virus or large protein. After isolating and concentrating particles, one can quickly freeze them on a microscope grid. The freezing allows the particles to be preserved "intact." Images of the particles on the grid are then obtained with an electron microscope. By reconstructing thousands of images, one can obtain a final three-dimensional structure with enough detail to observe the entire virus particle, as well as the individual structural proteins that comprise the particle.

Another method of obtaining virus and protein structures is X-ray crystallography. For this method, virus (or the viral protein of interest) is isolated, purified, concentrated, and crystallized. High-powered X-rays are beamed onto the crystal, and the diffraction pattern is analyzed computationally and ultimately reveals a structure of the molecule of interest.

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What other technological applications will be relevant to this project?

The study of solar cells is similar in form to other fields. For instance, the interaction of titania (TiO2) with organic molecules in dye-sensitized solar cells is very similar to (heterogeneous) catalysis, the act of accelerating the rate of a reaction, where a metal particle or surface interacts with an organic molecule or a group of molecules.

Another technological application that will spawn from this project is the study of molecular electronics, where molecules are used for building electronic components. This means that we will potentially provide the means to extend Moore's Law.

Furthermore, the CEP plans to host a range of other calculations for cleaner energy such as work on solar concentrator and fuel cell materials. It is only with your help that researchers can go ahead and try to answer these questions of both pure and applied research.

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How are virus structures determined?

Cryo-electron microscopy is one way to determine the structure of a virus. After isolating and concentrating virus particles, one can quickly freeze them on a microscope grid. The freezing allows the particles to be preserved "intact." Images of the particles on the grid are then obtained with an electron microscope. By reconstructing thousands of images, one can obtain a final three-dimensional structure with enough detail to observe the entire virus particle as well as the individual structural proteins that comprise the particle.

Another method of obtaining virus structure is X-ray crystallography. For this method, virus (or the viral protein of interest) is isolated, purified, concentrated, and crystallized. High-powered X-rays are beamed onto the crystal, and the diffraction pattern is analyzed computationally and ultimately reveals a structure of the molecule of interest.

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What do proteins look like?

Proteins are too small to be seen by common visible light microscopy. It is possible to see larger proteins and protein arrays using transmission electron microscopy or atomic force microscopy. The protein structures that you usually "see" are depictions based upon high resolution structures as determined by X-Ray crystallography or Nuclear Magnetic Resonance (NMR).

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