PChem322 f20 w6

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Mon, Mar 1, 2021

Return Exams

Sec 5.1, 5.2, 5.3 cont.

- Discussed box with non-infinite walls; consequences resulting --> new wavefunction, new energies (Fig 5.1/5.3/5.5).

- Eq 5.5 (box length), Figure 5.4, Table 5.1, and Eq. 5.6 were discussed previously and included on Exam 1 material.

Sec 5.4

- Informally discussed Fig 5.5 of overlapping "boxes" or in this case "wells."

- This Sec will be discussed more in lab demo using LEDs.

Weds, Mar 3, 2021

- Sec 5.1 topic...penetration depth (Fig 5.2)

Sec 5.5

Skim

Sec 5.6/5.7

Tunneling

- Fig 5.13

- Video: Principles of the STM (1:31 min)

(Note: Tunneling phenomenon; must have conductive surface.)

• Constant height mode
• Constant current mode

- AFM Principle- Basic Training

(Note: not a tunneling phenomenon, but discussed here because it generates similar STM data.)

• Contact AFM

- destructive

- tip wear

• Non-contact AFM/Tapping mode

- not destructive

- tip wear minimized

Sec 5.8/5.9

- Tunneling in chemical reactions

- Quantum Well and Quantum Dots

Thurs, Mar 4, 2021

LED Demonstration (Steve Distin guest lecturer)

• Forward voltage/emission wavelength (color)

WebMO/Gaussian Project

• H₂ Molecular Orbitals

- HF/6-31G(d), geo opt followed by second calc of Molecular Orbitals

• N₂ Molecular Orbitals; video

- B3LYP/cc-pVDZ geo opt, then Molecular Orbitals

• Ethane

- HF/6-31G(d) opt geo

- Molecular Orbitals/Electrostatic potential map

- then Coordinate Scan See example here #3

- Peptide Bond Coordinate Scan