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Beilstein J. Nanotechnol. 2017, 8, 667–674, doi:10.3762/bjnano.8.71
Figure 1: Lowest-energy adsorption geometries of a CDB and a TCB molecule at a monatomic KCl step edge. Colou...
Figure 2: Change in entropy for step adhesion at 300 K for CDB (dotted line) and TCB (solid line) as a functi...
Figure 3: Change in free energy for a single TCB molecule adhering to a step edge at 300 K. Zero on the x-axi...
Figure 4: Change in free energy for a single CDB molecule adhering to a step edge at 300 K. Zero on the x-axi...
Figure 5: Change of free energy and entropy of TCB dimer formation as a function of molecular separation at 3...
Figure 6: Convergence of entropy change upon dimer formation as a function of the MD simulation time at 300 K...
Beilstein J. Nanotechnol. 2012, 3, 329–335, doi:10.3762/bjnano.3.37
Figure 1: (a) Side-on view of the structure of the Cr and W cluster tip models. (b) The structure of the peri...
Figure 2: (a) Energy as a function of cluster Cr tip height above the NaCl(001) surface. (b) Energy as a func...
Figure 3: Energy as a function of tip height for the W tip interacting with the NaCl(001) surface.
Figure 4: Constant-frequency-shift image (Δf = −60 Hz) of the NaCl surface imaged with the cluster Cr tip.
Figure 5: Total energy changes as a function of tip height for the periodic Cr tip interacting with the NaCl(...
Figure 6: Tip force as a function of height directly above Cl− (left) and Na+ (right) ions in the NaCl(001) s...