Journal of Physics D Applied Physics,
Год журнала:
2024,
Номер
57(38), С. 385301 - 385301
Опубликована: Июнь 27, 2024
Abstract
Exploring
the
gas-solid
compatibility
between
insulating
gas
and
solids
materials
used
in
electrical
equipment
is
of
great
significance
for
determining
long-term
behavior
trifluoromethanesulonyl
fluoride
(CF
3
SO
2
F).
The
CF
F
its
decomposition
products
with
Ag,
Zn,
ZnO
common
surfaces
has
been
assessed
based
on
first-principles
calculations,
SF
6
as
control
group.
excellent
solid
by
analyzing
adsorption
configurations,
energies,
charge
transfer,
height,
density
states,
ab
initio
molecular
dynamics
(AIMD)
results.
external
electric
fields
do
not
affect
surfaces.
Besides,
Ag(111)
surface
exhibits
fine
all
benefitting
from
low
energy.
Originating
existence
three-center-four-electron
(3c4e)
π
bond
atoms
strong
electronegativity
,
poor
Ag(110),
(100),
Zn(001)
surface.
COF
HF
gases
may
accelerate
failure
due
to
strength
ZnO(100)
(110)
results
provide
theoretical
guidance
engineering
application
performance
evaluation
F.
Journal of Physics D Applied Physics,
Год журнала:
2024,
Номер
57(38), С. 385301 - 385301
Опубликована: Июнь 27, 2024
Abstract
Exploring
the
gas-solid
compatibility
between
insulating
gas
and
solids
materials
used
in
electrical
equipment
is
of
great
significance
for
determining
long-term
behavior
trifluoromethanesulonyl
fluoride
(CF
3
SO
2
F).
The
CF
F
its
decomposition
products
with
Ag,
Zn,
ZnO
common
surfaces
has
been
assessed
based
on
first-principles
calculations,
SF
6
as
control
group.
excellent
solid
by
analyzing
adsorption
configurations,
energies,
charge
transfer,
height,
density
states,
ab
initio
molecular
dynamics
(AIMD)
results.
external
electric
fields
do
not
affect
surfaces.
Besides,
Ag(111)
surface
exhibits
fine
all
benefitting
from
low
energy.
Originating
existence
three-center-four-electron
(3c4e)
π
bond
atoms
strong
electronegativity
,
poor
Ag(110),
(100),
Zn(001)
surface.
COF
HF
gases
may
accelerate
failure
due
to
strength
ZnO(100)
(110)
results
provide
theoretical
guidance
engineering
application
performance
evaluation
F.
