No subject

Chemistry viewpoint, certain atomic structure could result in different
hybrid styles of molecular orbitals. The feature I identified may have a
favorable shape of hybrid orbitals for water approaching and dissociating.

I wonder whether QE has a function for ploting the shape of hybrid molecular
orbitals near the surface.

thank you for reading

best,

vega

-- 
==================================================================================
Vega Lew ( weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
******************************************************************************************************************
Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
Jiangsu, China
******************************************************************************************************************

--001636163d19c830c60466ccc604
Content-Type: text/html; charset=ISO-8859-1
Content-Transfer-Encoding: quoted-printable

Dear all,<br><br>I&#39;m studying the water splitting behavior on certain s=
urfaces. And I have identified a special structural features of the surface=
 for water dissociation.<br clear=3D"all">But I can&#39;t tell why that kin=
d of feature did a positive effect on water dissociation. One visitor to ou=
r group thought this behavior has a strong dependence of molecular hybrid o=
rbitals of atoms near the surface. From a <font style=3D"font-size: 14px;">=
Structural Chemistry</font> viewpoint, certain atomic structure could resul=
t in different hybrid styles of molecular orbitals. The feature I identifie=
d may have a favorable shape of hybrid orbitals for water approaching and d=
issociating.<br>
<br>I wonder whether QE has a function for ploting the shape of hybrid mole=
cular orbitals near the surface.<br><br>thank you for reading<br><br>best,<=
br><br>vega<br><br>-- <br>=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=
=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D=3D<br>
Vega Lew ( weijia liu)<br>PH.D Candidate in Chemical Engineering<br>State K=
ey Laboratory of Materials-oriented Chemical Engineering<br>College of Chem=
istry and Chemical Engineering<br>Nanjing University of Technology, 210009,=
 Nanjing, Jiangsu, China<br>
***************************************************************************=
***************************************<br>Email: <a href=3D"mailto:vegalew=
@gmail.com">vegalew at gmail.com</a><br>Office: Room A705, Technical Innovatio=
n Building, Xinmofan Road 5#, Nanjing, Jiangsu, China =A0<br>
***************************************************************************=
*************************************** <br>

--001636163d19c830c60466ccc604--